REMARK Name = BDB061747 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 3 4.771 2.113 -1.698 0.00 0.00 +0.234 C ATOM 2 N UNK A 3 4.670 2.894 -2.809 0.00 0.00 -0.305 N ATOM 3 H UNK A 3 4.173 2.449 -3.588 0.00 0.00 +0.149 HD ATOM 4 O UNK A 3 4.085 1.086 -1.653 0.00 0.00 -0.274 OA ENDROOT BRANCH 2 5 ATOM 5 C UNK A 3 5.013 4.292 -2.987 0.00 0.00 +0.200 C BRANCH 5 6 ATOM 6 C UNK A 3 3.842 5.017 -3.651 0.00 0.00 +0.231 C ATOM 7 N UNK A 3 2.857 5.522 -2.866 0.00 0.00 -0.303 N ATOM 8 H UNK A 3 2.116 5.994 -3.378 0.00 0.00 +0.149 HD ATOM 9 O UNK A 3 3.718 5.118 -4.871 0.00 0.00 -0.274 OA BRANCH 7 10 ATOM 10 C UNK A 3 2.616 5.340 -1.438 0.00 0.00 +0.159 C BRANCH 10 11 ATOM 11 C UNK A 3 1.107 5.062 -1.304 0.00 0.00 +0.234 C ATOM 12 N UNK A 3 0.588 4.590 -0.138 0.00 0.00 -0.302 N ATOM 13 H UNK A 3 -0.417 4.449 -0.224 0.00 0.00 +0.150 HD ATOM 14 O UNK A 3 0.327 5.298 -2.231 0.00 0.00 -0.274 OA BRANCH 12 15 ATOM 15 C UNK A 3 1.213 3.577 0.735 0.00 0.00 +0.169 C BRANCH 15 16 ATOM 16 C UNK A 3 0.244 2.367 0.707 0.00 0.00 +0.234 C ATOM 17 N UNK A 3 0.665 1.227 1.343 0.00 0.00 -0.302 N ATOM 18 H UNK A 3 1.639 1.145 1.647 0.00 0.00 +0.150 HD ATOM 19 O UNK A 3 -0.862 2.447 0.166 0.00 0.00 -0.274 OA BRANCH 17 20 ATOM 20 C UNK A 3 -0.180 0.036 1.388 0.00 0.00 +0.159 C BRANCH 20 21 ATOM 21 C UNK A 3 0.030 -0.714 2.725 0.00 0.00 +0.234 C ATOM 22 N UNK A 3 -1.125 -1.330 3.197 0.00 0.00 -0.302 N ATOM 23 H UNK A 3 -1.848 -1.421 2.506 0.00 0.00 +0.150 HD ATOM 24 O UNK A 3 1.125 -0.813 3.269 0.00 0.00 -0.274 OA BRANCH 22 25 ATOM 25 C UNK A 3 -1.048 -2.480 4.099 0.00 0.00 +0.163 C BRANCH 25 26 ATOM 26 C UNK A 3 -2.334 -3.334 4.192 0.00 0.00 +0.234 C ATOM 27 N UNK A 3 -3.593 -2.854 4.012 0.00 0.00 -0.302 N ATOM 28 H UNK A 3 -4.280 -3.566 4.252 0.00 0.00 +0.150 HD ATOM 29 O UNK A 3 -2.247 -4.531 4.495 0.00 0.00 -0.274 OA BRANCH 27 30 ATOM 30 C UNK A 3 -4.170 -1.521 3.817 0.00 0.00 +0.159 C BRANCH 30 31 ATOM 31 C UNK A 3 -5.448 -1.392 4.689 0.00 0.00 +0.234 C ATOM 32 N UNK A 3 -5.927 -0.109 4.839 0.00 0.00 -0.302 N ATOM 33 H UNK A 3 -5.494 0.653 4.329 0.00 0.00 +0.150 HD ATOM 34 O UNK A 3 -6.036 -2.369 5.147 0.00 0.00 -0.274 OA BRANCH 32 35 ATOM 35 C UNK A 3 -6.971 0.238 5.812 0.00 0.00 +0.159 C BRANCH 35 36 ATOM 36 C UNK A 3 -8.395 0.344 5.211 0.00 0.00 +0.234 C ATOM 37 N UNK A 3 -8.650 -0.437 4.108 0.00 0.00 -0.302 N ATOM 38 H UNK A 3 -7.936 -1.071 3.771 0.00 0.00 +0.150 HD ATOM 39 O UNK A 3 -9.281 1.009 5.746 0.00 0.00 -0.274 OA BRANCH 37 40 ATOM 40 C UNK A 3 -9.961 -0.433 3.460 0.00 0.00 +0.159 C BRANCH 40 41 ATOM 41 C UNK A 3 -10.278 -1.669 2.577 0.00 0.00 +0.237 C ATOM 42 N UNK A 3 -9.342 -2.710 2.612 0.00 0.00 -0.288 N ATOM 43 C UNK A 3 -9.436 -3.721 1.555 0.00 0.00 +0.162 C ATOM 44 C UNK A 3 -10.331 -4.792 2.156 0.00 0.00 +0.033 C ATOM 45 C UNK A 3 -9.823 -4.841 3.599 0.00 0.00 +0.021 C ATOM 46 C UNK A 3 -9.293 -3.429 3.888 0.00 0.00 +0.109 C ATOM 47 O UNK A 3 -11.300 -1.740 1.892 0.00 0.00 -0.274 OA BRANCH 43 48 ATOM 48 C UNK A 3 -9.704 -3.238 0.106 0.00 0.00 +0.234 C ATOM 49 N UNK A 3 -10.999 -3.330 -0.349 0.00 0.00 -0.302 N ATOM 50 H UNK A 3 -11.674 -3.241 0.409 0.00 0.00 +0.150 HD ATOM 51 O UNK A 3 -8.810 -2.764 -0.601 0.00 0.00 -0.274 OA BRANCH 49 52 ATOM 52 C UNK A 3 -11.475 -2.705 -1.595 0.00 0.00 +0.159 C BRANCH 52 53 ATOM 53 C UNK A 3 -10.928 -3.263 -2.942 0.00 0.00 +0.234 C ATOM 54 N UNK A 3 -9.659 -3.781 -2.914 0.00 0.00 -0.302 N ATOM 55 H UNK A 3 -9.125 -3.569 -2.076 0.00 0.00 +0.150 HD ATOM 56 O UNK A 3 -11.553 -3.078 -3.989 0.00 0.00 -0.274 OA BRANCH 54 57 ATOM 57 C UNK A 3 -8.862 -4.023 -4.120 0.00 0.00 +0.159 C BRANCH 57 58 ATOM 58 C UNK A 3 -8.410 -2.678 -4.740 0.00 0.00 +0.231 C ATOM 59 O UNK A 3 -8.181 -2.507 -5.933 0.00 0.00 -0.274 OA ATOM 60 N UNK A 3 -8.115 -1.687 -3.841 0.00 0.00 -0.328 N ATOM 61 H UNK A 3 -8.160 -1.817 -2.837 0.00 0.00 +0.145 HD ATOM 62 H UNK A 3 -7.750 -0.810 -4.191 0.00 0.00 +0.145 HD ENDBRANCH 57 58 BRANCH 57 63 ATOM 63 C UNK A 3 -9.528 -4.989 -5.121 0.00 0.00 +0.034 C BRANCH 63 64 ATOM 64 C UNK A 3 -8.574 -6.085 -5.647 0.00 0.00 -0.015 C ATOM 65 C UNK A 3 -9.348 -7.083 -6.511 0.00 0.00 +0.007 C ATOM 66 C UNK A 3 -7.401 -5.518 -6.449 0.00 0.00 +0.007 C ENDBRANCH 63 64 ENDBRANCH 57 63 ENDBRANCH 54 57 ENDBRANCH 52 53 BRANCH 52 67 ATOM 67 C UNK A 3 -11.329 -1.167 -1.553 0.00 0.00 +0.043 C BRANCH 67 68 ATOM 68 C UNK A 3 -12.037 -0.424 -2.687 0.00 0.00 +0.123 C BRANCH 68 69 ATOM 69 C UNK A 3 -13.493 -0.809 -2.782 0.00 0.00 +0.305 C ATOM 70 O UNK A 3 -14.331 -0.455 -1.961 0.00 0.00 -0.251 OA BRANCH 69 71 ATOM 71 O UNK A 3 -13.767 -1.681 -3.775 0.00 0.00 -0.481 OA ATOM 72 H UNK A 3 -12.967 -2.064 -4.212 0.00 0.00 +0.295 HD ENDBRANCH 69 71 ENDBRANCH 68 69 ENDBRANCH 67 68 ENDBRANCH 52 67 ENDBRANCH 49 52 ENDBRANCH 43 48 ENDBRANCH 40 41 BRANCH 40 73 ATOM 73 C UNK A 3 -10.205 0.859 2.647 0.00 0.00 +0.034 C BRANCH 73 74 ATOM 74 C UNK A 3 -9.411 1.003 1.328 0.00 0.00 -0.015 C ATOM 75 C UNK A 3 -7.903 1.111 1.533 0.00 0.00 +0.007 C ATOM 76 C UNK A 3 -9.910 2.236 0.565 0.00 0.00 +0.007 C ENDBRANCH 73 74 ENDBRANCH 40 73 ENDBRANCH 37 40 ENDBRANCH 35 36 BRANCH 35 77 ATOM 77 C UNK A 3 -6.620 1.565 6.506 0.00 0.00 +0.043 C BRANCH 77 78 ATOM 78 C UNK A 3 -5.343 1.461 7.331 0.00 0.00 +0.123 C BRANCH 78 79 ATOM 79 C UNK A 3 -4.846 2.805 7.793 0.00 0.00 +0.305 C ATOM 80 O UNK A 3 -5.300 3.899 7.520 0.00 0.00 -0.251 OA BRANCH 79 81 ATOM 81 O UNK A 3 -3.743 2.696 8.569 0.00 0.00 -0.481 OA ATOM 82 H UNK A 3 -3.562 3.629 8.826 0.00 0.00 +0.295 HD ENDBRANCH 79 81 ENDBRANCH 78 79 ENDBRANCH 77 78 ENDBRANCH 35 77 ENDBRANCH 32 35 ENDBRANCH 30 31 BRANCH 30 83 ATOM 83 C UNK A 3 -4.534 -1.282 2.336 0.00 0.00 +0.032 C BRANCH 83 84 ATOM 84 C UNK A 3 -5.415 -2.389 1.736 0.00 0.00 +0.003 C BRANCH 84 85 ATOM 85 C UNK A 3 -5.746 -2.196 0.254 0.00 0.00 +0.015 C BRANCH 85 86 ATOM 86 C UNK A 3 -4.533 -2.285 -0.665 0.00 0.00 +0.077 C BRANCH 86 87 ATOM 87 N UNK A 3 -4.953 -2.240 -2.061 0.00 0.00 -0.330 NA ATOM 88 H UNK A 3 -5.572 -3.031 -2.250 0.00 0.00 +0.118 HD ATOM 89 H UNK A 3 -4.145 -2.404 -2.670 0.00 0.00 +0.118 HD ENDBRANCH 86 87 ENDBRANCH 85 86 ENDBRANCH 84 85 ENDBRANCH 83 84 ENDBRANCH 30 83 ENDBRANCH 27 30 ENDBRANCH 25 26 BRANCH 25 90 ATOM 90 C UNK A 3 -0.466 -2.226 5.495 0.00 0.00 +0.069 C BRANCH 90 91 ATOM 91 C UNK A 3 -1.292 -1.398 6.427 0.00 0.00 -0.020 A ATOM 92 C UNK A 3 -2.227 -1.882 7.398 0.00 0.00 +0.003 A ATOM 93 C UNK A 3 -2.629 -0.792 8.167 0.00 0.00 +0.047 A ATOM 94 C UNK A 3 -3.498 -0.914 9.258 0.00 0.00 +0.026 A ATOM 95 C UNK A 3 -4.006 -2.181 9.548 0.00 0.00 +0.002 A ATOM 96 C UNK A 3 -3.632 -3.288 8.794 0.00 0.00 +0.001 A ATOM 97 N UNK A 3 -2.010 0.322 7.649 0.00 0.00 -0.360 N ATOM 98 H UNK A 3 -2.113 1.255 8.032 0.00 0.00 +0.165 HD ATOM 99 C UNK A 3 -2.737 -3.157 7.729 0.00 0.00 +0.010 A ATOM 100 C UNK A 3 -1.224 -0.027 6.587 0.00 0.00 +0.087 A ENDBRANCH 90 91 ENDBRANCH 25 90 ENDBRANCH 22 25 ENDBRANCH 20 21 BRANCH 20 101 ATOM 101 C UNK A 3 0.085 -0.871 0.169 0.00 0.00 +0.033 C BRANCH 101 102 ATOM 102 C UNK A 3 -0.658 -2.212 0.214 0.00 0.00 +0.023 C BRANCH 102 103 ATOM 103 C UNK A 3 -0.532 -3.044 -1.062 0.00 0.00 +0.115 C BRANCH 103 104 ATOM 104 N UNK A 3 -1.281 -2.443 -2.156 0.00 0.00 -0.356 N ATOM 105 H UNK A 3 -1.986 -1.769 -1.883 0.00 0.00 +0.162 HD BRANCH 104 106 ATOM 106 C UNK A 3 -1.599 -3.141 -3.263 0.00 0.00 +0.188 C ATOM 107 N UNK A 3 -1.174 -4.310 -3.557 0.00 0.00 -0.269 NA ATOM 108 H UNK A 3 -1.583 -4.624 -4.436 0.00 0.00 +0.190 HD BRANCH 106 109 ATOM 109 N UNK A 3 -2.440 -2.450 -4.060 0.00 0.00 -0.370 N ATOM 110 H UNK A 3 -2.620 -2.880 -4.961 0.00 0.00 +0.159 HD ATOM 111 H UNK A 3 -2.133 -1.494 -4.188 0.00 0.00 +0.159 HD ENDBRANCH 106 109 ENDBRANCH 104 106 ENDBRANCH 103 104 ENDBRANCH 102 103 ENDBRANCH 101 102 ENDBRANCH 20 101 ENDBRANCH 17 20 ENDBRANCH 15 16 BRANCH 15 112 ATOM 112 C UNK A 3 1.351 4.118 2.150 0.00 0.00 +0.152 C BRANCH 112 113 ATOM 113 C UNK A 3 2.781 3.999 2.579 0.00 0.00 +0.307 C ATOM 114 O UNK A 3 3.723 4.543 2.027 0.00 0.00 -0.251 OA BRANCH 113 115 ATOM 115 O UNK A 3 2.921 3.224 3.667 0.00 0.00 -0.481 OA ATOM 116 H UNK A 3 3.885 3.001 3.736 0.00 0.00 +0.295 HD ENDBRANCH 113 115 ENDBRANCH 112 113 ENDBRANCH 15 112 ENDBRANCH 12 15 ENDBRANCH 10 11 BRANCH 10 117 ATOM 117 C UNK A 3 3.078 6.542 -0.597 0.00 0.00 +0.034 C BRANCH 117 118 ATOM 118 C UNK A 3 2.628 7.940 -1.083 0.00 0.00 -0.015 C ATOM 119 C UNK A 3 3.537 8.514 -2.176 0.00 0.00 +0.007 C ATOM 120 C UNK A 3 2.635 8.917 0.101 0.00 0.00 +0.007 C ENDBRANCH 117 118 ENDBRANCH 10 117 ENDBRANCH 7 10 ENDBRANCH 5 6 ENDBRANCH 2 5 BRANCH 1 121 ATOM 121 C UNK A 3 5.664 2.543 -0.510 0.00 0.00 +0.160 C BRANCH 121 123 ATOM 122 C UNK A 3 4.784 1.017 1.296 0.00 0.00 +0.234 C ATOM 123 N UNK A 3 5.781 1.420 0.426 0.00 0.00 -0.302 N ATOM 124 H UNK A 3 6.450 0.708 0.168 0.00 0.00 +0.150 HD ATOM 125 O UNK A 3 3.667 1.523 1.360 0.00 0.00 -0.274 OA BRANCH 122 126 ATOM 126 C UNK A 3 5.246 -0.189 2.150 0.00 0.00 +0.159 C BRANCH 126 128 ATOM 127 C UNK A 3 4.729 0.604 4.412 0.00 0.00 +0.234 C ATOM 128 N UNK A 3 4.565 -0.363 3.425 0.00 0.00 -0.302 N ATOM 129 H UNK A 3 4.673 -1.303 3.804 0.00 0.00 +0.150 HD ATOM 130 O UNK A 3 5.049 1.764 4.156 0.00 0.00 -0.274 OA BRANCH 127 131 ATOM 131 C UNK A 3 4.698 0.008 5.847 0.00 0.00 +0.162 C BRANCH 131 133 ATOM 132 C UNK A 3 6.742 -1.376 5.516 0.00 0.00 +0.234 C ATOM 133 N UNK A 3 6.098 -0.334 6.153 0.00 0.00 -0.302 N ATOM 134 H UNK A 3 6.663 0.412 6.532 0.00 0.00 +0.150 HD ATOM 135 O UNK A 3 6.115 -2.150 4.780 0.00 0.00 -0.274 OA BRANCH 132 136 ATOM 136 C UNK A 3 8.275 -1.517 5.770 0.00 0.00 +0.161 C BRANCH 136 138 ATOM 137 C UNK A 3 8.971 -3.771 4.983 0.00 0.00 +0.234 C ATOM 138 N UNK A 3 8.790 -2.425 4.745 0.00 0.00 -0.302 N ATOM 139 H UNK A 3 8.603 -2.189 3.780 0.00 0.00 +0.150 HD ATOM 140 O UNK A 3 8.812 -4.280 6.088 0.00 0.00 -0.274 OA BRANCH 137 141 ATOM 141 C UNK A 3 9.478 -4.572 3.766 0.00 0.00 +0.159 C BRANCH 141 143 ATOM 142 C UNK A 3 8.675 -3.896 1.489 0.00 0.00 +0.236 C ATOM 143 N UNK A 3 9.575 -3.783 2.526 0.00 0.00 -0.302 N ATOM 144 H UNK A 3 10.277 -3.049 2.469 0.00 0.00 +0.150 HD ATOM 145 O UNK A 3 7.688 -4.631 1.536 0.00 0.00 -0.274 OA BRANCH 142 146 ATOM 146 C UNK A 3 9.009 -3.070 0.225 0.00 0.00 +0.184 C BRANCH 146 148 ATOM 147 C MET A 2 7.996 -3.004 -2.058 0.00 0.00 +0.234 C ATOM 148 N UNK A 3 7.900 -3.266 -0.705 0.00 0.00 -0.301 N ATOM 149 H UNK A 3 7.115 -3.803 -0.345 0.00 0.00 +0.150 HD ATOM 150 O MET A 2 9.000 -2.518 -2.573 0.00 0.00 -0.274 OA BRANCH 147 151 ATOM 151 CA MET A 2 6.741 -3.456 -2.849 0.00 0.00 +0.160 C BRANCH 151 153 ATOM 152 C UNK A 1 5.731 -1.369 -3.505 0.00 0.00 +0.234 C ATOM 153 N MET A 2 6.303 -2.563 -3.924 0.00 0.00 -0.302 N ATOM 154 H MET A 2 5.870 -3.004 -4.722 0.00 0.00 +0.150 HD ATOM 155 O UNK A 1 6.258 -0.689 -2.626 0.00 0.00 -0.274 OA BRANCH 152 156 ATOM 156 C UNK A 1 4.344 -1.035 -4.115 0.00 0.00 +0.159 C BRANCH 156 158 ATOM 157 C UNK A 1 3.929 0.625 -5.896 0.00 0.00 +0.234 C ATOM 158 N UNK A 1 4.349 -0.648 -5.523 0.00 0.00 -0.302 N ATOM 159 H UNK A 1 4.481 -1.358 -6.229 0.00 0.00 +0.150 HD ATOM 160 O UNK A 1 3.834 1.551 -5.090 0.00 0.00 -0.274 OA BRANCH 157 161 ATOM 161 C UNK A 1 3.450 0.744 -7.369 0.00 0.00 +0.162 C BRANCH 161 162 ATOM 162 N UNK A 1 2.307 1.670 -7.390 0.00 0.00 -0.302 N ATOM 163 H UNK A 1 1.453 1.346 -6.948 0.00 0.00 +0.150 HD ATOM 164 C UNK A 1 2.416 3.051 -7.472 0.00 0.00 +0.235 C ATOM 165 O UNK A 1 3.455 3.626 -7.765 0.00 0.00 -0.274 OA BRANCH 164 166 ATOM 166 C UNK A 1 1.053 3.764 -7.361 0.00 0.00 +0.176 C ATOM 167 N UNK A 1 0.316 3.353 -6.147 0.00 0.00 -0.301 N ATOM 168 H UNK A 1 0.783 3.614 -5.283 0.00 0.00 +0.150 HD ATOM 169 C UNK A 1 -1.075 3.432 -6.160 0.00 0.00 +0.234 C ATOM 170 O UNK A 1 -1.736 3.303 -7.187 0.00 0.00 -0.274 OA ATOM 171 C UNK A 1 -1.729 3.666 -4.778 0.00 0.00 +0.159 C ATOM 172 N UNK A 1 -2.943 4.472 -4.940 0.00 0.00 -0.302 N ATOM 173 H UNK A 1 -3.521 4.248 -5.753 0.00 0.00 +0.150 HD ATOM 174 C UNK A 1 -3.291 5.679 -4.392 0.00 0.00 +0.234 C ATOM 175 O UNK A 1 -4.307 6.240 -4.801 0.00 0.00 -0.274 OA ATOM 176 C UNK A 1 -2.470 6.244 -3.222 0.00 0.00 +0.169 C ATOM 177 N UNK A 1 -2.429 7.710 -3.092 0.00 0.00 -0.303 N ATOM 178 H UNK A 1 -2.373 8.026 -2.127 0.00 0.00 +0.149 HD ATOM 179 C UNK A 0 -1.548 8.474 -3.816 0.00 0.00 +0.216 C ATOM 180 O UNK A 0 -0.788 9.234 -3.217 0.00 0.00 -0.276 OA ATOM 181 C UNK A 0 -1.552 8.364 -5.320 0.00 0.00 +0.123 C ATOM 182 C UNK A 0 -0.381 7.533 -5.867 0.00 0.00 +0.146 C ATOM 183 C UNK A 0 -0.784 6.938 -7.233 0.00 0.00 +0.230 C ATOM 184 O UNK A 0 -1.792 7.296 -7.843 0.00 0.00 -0.274 OA ATOM 185 N UNK A 0 -0.036 5.953 -7.807 0.00 0.00 -0.312 N ATOM 186 H UNK A 0 -0.432 5.684 -8.701 0.00 0.00 +0.149 HD ATOM 187 C UNK A 1 1.209 5.301 -7.409 0.00 0.00 +0.136 C BRANCH 182 188 ATOM 188 N UNK A 0 0.822 8.372 -6.021 0.00 0.00 -0.320 NA ATOM 189 H UNK A 0 1.633 7.810 -6.277 0.00 0.00 +0.119 HD ATOM 190 H UNK A 0 1.038 8.832 -5.136 0.00 0.00 +0.119 HD ENDBRANCH 182 188 BRANCH 171 191 ATOM 191 C UNK A 1 -1.961 2.325 -4.060 0.00 0.00 +0.043 C BRANCH 191 192 ATOM 192 C UNK A 1 -3.243 1.582 -4.459 0.00 0.00 +0.123 C BRANCH 192 193 ATOM 193 C UNK A 1 -4.497 2.183 -3.879 0.00 0.00 +0.305 C ATOM 194 O UNK A 1 -5.560 2.323 -4.456 0.00 0.00 -0.251 OA BRANCH 193 195 ATOM 195 O UNK A 1 -4.356 2.548 -2.589 0.00 0.00 -0.481 OA ATOM 196 H UNK A 1 -5.147 3.106 -2.406 0.00 0.00 +0.295 HD ENDBRANCH 193 195 ENDBRANCH 192 193 ENDBRANCH 191 192 ENDBRANCH 171 191 BRANCH 176 197 ATOM 197 C UNK A 1 -2.921 5.570 -1.925 0.00 0.00 +0.152 C BRANCH 197 198 ATOM 198 C UNK A 1 -4.330 5.943 -1.567 0.00 0.00 +0.307 C ATOM 199 O UNK A 1 -4.662 6.954 -0.970 0.00 0.00 -0.251 OA BRANCH 198 200 ATOM 200 O UNK A 1 -5.254 5.045 -1.968 0.00 0.00 -0.481 OA ATOM 201 H UNK A 1 -6.098 5.527 -1.807 0.00 0.00 +0.295 HD ENDBRANCH 198 200 ENDBRANCH 197 198 ENDBRANCH 176 197 ENDBRANCH 164 166 ENDBRANCH 161 162 BRANCH 161 202 ATOM 202 C UNK A 1 4.562 0.998 -8.416 0.00 0.00 +0.015 C ATOM 203 C UNK A 1 5.645 -0.091 -8.388 0.00 0.00 +0.010 C BRANCH 202 205 ATOM 204 C UNK A 1 3.148 -0.020 -10.343 0.00 0.00 +0.004 C ATOM 205 C UNK A 1 4.010 1.142 -9.859 0.00 0.00 +0.002 C ENDBRANCH 202 205 ENDBRANCH 161 202 ENDBRANCH 157 161 ENDBRANCH 156 158 BRANCH 156 206 ATOM 206 C UNK A 1 3.387 -2.221 -3.863 0.00 0.00 +0.034 C BRANCH 206 207 ATOM 207 C UNK A 1 1.874 -1.987 -4.057 0.00 0.00 -0.015 C ATOM 208 C UNK A 1 1.381 -0.658 -3.497 0.00 0.00 +0.007 C ATOM 209 C UNK A 1 1.430 -2.174 -5.507 0.00 0.00 +0.007 C ENDBRANCH 206 207 ENDBRANCH 156 206 ENDBRANCH 152 156 ENDBRANCH 151 153 BRANCH 151 210 ATOM 210 CB MET A 2 6.968 -4.894 -3.349 0.00 0.00 +0.042 C BRANCH 210 211 ATOM 211 CG MET A 2 5.637 -5.609 -3.585 0.00 0.00 +0.071 C BRANCH 211 212 ATOM 212 SD MET A 2 5.915 -7.333 -4.075 0.00 0.00 -0.164 S ATOM 213 CE MET A 2 4.186 -7.834 -4.273 0.00 0.00 +0.084 C ENDBRANCH 211 212 ENDBRANCH 210 211 ENDBRANCH 151 210 ENDBRANCH 147 151 ENDBRANCH 146 148 BRANCH 146 214 ATOM 214 C UNK A 3 9.206 -1.590 0.579 0.00 0.00 +0.187 C BRANCH 214 215 ATOM 215 O UNK A 3 10.443 -1.403 1.272 0.00 0.00 -0.393 OA ATOM 216 H UNK A 3 11.085 -1.072 0.610 0.00 0.00 +0.209 HD ENDBRANCH 214 215 ENDBRANCH 146 214 ENDBRANCH 142 146 ENDBRANCH 141 143 BRANCH 141 217 ATOM 217 C UNK A 3 10.812 -5.286 4.053 0.00 0.00 +0.034 C BRANCH 217 218 ATOM 218 C UNK A 3 12.032 -4.377 4.344 0.00 0.00 -0.015 C ATOM 219 C UNK A 3 12.101 -3.933 5.806 0.00 0.00 +0.007 C ATOM 220 C UNK A 3 13.326 -5.125 4.001 0.00 0.00 +0.007 C ENDBRANCH 217 218 ENDBRANCH 141 217 ENDBRANCH 137 141 ENDBRANCH 136 138 BRANCH 136 221 ATOM 221 C UNK A 3 9.033 -0.157 5.753 0.00 0.00 +0.012 C ATOM 222 C UNK A 3 9.282 0.328 7.189 0.00 0.00 +0.009 C ATOM 223 C UNK A 3 10.382 -0.189 5.019 0.00 0.00 +0.009 C ENDBRANCH 136 221 ENDBRANCH 132 136 ENDBRANCH 131 133 BRANCH 131 224 ATOM 224 C UNK A 3 4.097 0.934 6.934 0.00 0.00 +0.015 C ATOM 225 C UNK A 3 4.746 2.326 7.027 0.00 0.00 +0.010 C BRANCH 224 226 ATOM 226 C UNK A 3 2.568 1.036 6.765 0.00 0.00 +0.002 C ATOM 227 C UNK A 3 1.886 1.796 7.897 0.00 0.00 +0.004 C ENDBRANCH 224 226 ENDBRANCH 131 224 ENDBRANCH 127 131 ENDBRANCH 126 128 BRANCH 126 228 ATOM 228 C UNK A 3 5.196 -1.489 1.326 0.00 0.00 +0.043 C BRANCH 228 229 ATOM 229 C UNK A 3 3.798 -1.825 0.809 0.00 0.00 +0.123 C BRANCH 229 230 ATOM 230 C UNK A 3 3.632 -3.256 0.375 0.00 0.00 +0.305 C ATOM 231 O UNK A 3 2.558 -3.812 0.194 0.00 0.00 -0.251 OA BRANCH 230 232 ATOM 232 O UNK A 3 4.780 -3.920 0.139 0.00 0.00 -0.481 OA ATOM 233 H UNK A 3 4.487 -4.850 0.030 0.00 0.00 +0.295 HD ENDBRANCH 230 232 ENDBRANCH 229 230 ENDBRANCH 228 229 ENDBRANCH 126 228 ENDBRANCH 122 126 ENDBRANCH 121 123 BRANCH 121 234 ATOM 234 C UNK A 3 7.093 2.985 -0.880 0.00 0.00 +0.042 C BRANCH 234 235 ATOM 235 C UNK A 3 7.818 2.018 -1.825 0.00 0.00 +0.071 C BRANCH 235 236 ATOM 236 S UNK A 3 9.612 2.322 -1.787 0.00 0.00 -0.164 S ATOM 237 C UNK A 3 10.111 1.051 -2.978 0.00 0.00 +0.084 C ENDBRANCH 235 236 ENDBRANCH 234 235 ENDBRANCH 121 234 ENDBRANCH 1 121 TORSDOF 99