REMARK Name = BDB050029 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 1 7.950 1.539 4.341 0.00 0.00 +0.192 C ENDROOT BRANCH 1 3 ATOM 2 N UNK A 1 6.951 3.135 6.213 0.00 0.00 -0.203 NA ATOM 3 C UNK A 1 7.938 2.737 5.363 0.00 0.00 +0.255 C ATOM 4 O UNK A 1 9.100 3.300 5.562 0.00 0.00 -0.272 OA BRANCH 2 5 ATOM 5 C UNK A 1 5.541 2.697 6.085 0.00 0.00 +0.191 C ATOM 6 C UNK A 1 5.500 1.625 7.454 0.00 0.00 +0.027 C BRANCH 5 9 ATOM 7 C UNK A 1 2.955 3.585 4.277 0.00 0.00 +0.172 C ATOM 8 N UNK A 1 3.334 4.004 5.766 0.00 0.00 -0.277 N ATOM 9 C UNK A 1 4.586 3.820 6.358 0.00 0.00 +0.240 C ATOM 10 O UNK A 1 4.774 4.502 7.429 0.00 0.00 -0.273 OA ATOM 11 C UNK A 1 2.128 4.232 6.339 0.00 0.00 +0.094 C ATOM 12 C UNK A 1 0.695 3.890 5.916 0.00 0.00 +0.023 C ATOM 13 C UNK A 1 1.438 3.526 4.588 0.00 0.00 +0.025 C BRANCH 7 15 ATOM 14 N UNK A 1 3.217 5.984 3.651 0.00 0.00 -0.203 NA ATOM 15 C UNK A 1 3.050 4.743 3.144 0.00 0.00 +0.254 C ATOM 16 O UNK A 1 2.812 4.469 1.979 0.00 0.00 -0.272 OA BRANCH 14 17 ATOM 17 C UNK A 1 4.143 6.884 2.735 0.00 0.00 +0.193 C BRANCH 17 19 ATOM 18 N UNK A 1 3.925 8.852 1.126 0.00 0.00 -0.203 NA ATOM 19 C UNK A 1 3.638 8.375 2.364 0.00 0.00 +0.255 C ATOM 20 O UNK A 1 3.253 9.090 3.340 0.00 0.00 -0.272 OA BRANCH 18 21 ATOM 21 C UNK A 1 2.874 8.450 0.072 0.00 0.00 +0.192 C BRANCH 21 23 ATOM 22 N UNK A 1 2.330 8.518 -2.409 0.00 0.00 -0.203 NA ATOM 23 C UNK A 1 3.312 8.844 -1.512 0.00 0.00 +0.255 C ATOM 24 O UNK A 1 4.370 9.469 -1.737 0.00 0.00 -0.272 OA BRANCH 22 25 ATOM 25 C UNK A 1 2.402 8.848 -3.865 0.00 0.00 +0.193 C BRANCH 25 27 ATOM 26 N UNK A 1 0.183 8.154 -5.044 0.00 0.00 -0.201 NA ATOM 27 C UNK A 1 0.962 9.129 -4.589 0.00 0.00 +0.256 C ATOM 28 O UNK A 1 0.805 10.281 -5.092 0.00 0.00 -0.272 OA BRANCH 26 29 ATOM 29 C UNK A 1 -1.236 8.497 -5.489 0.00 0.00 +0.218 C BRANCH 29 30 ATOM 30 C UNK A 1 -2.451 9.399 -5.343 0.00 0.00 +0.378 C ATOM 31 O UNK A 1 -3.167 9.552 -6.384 0.00 0.00 -0.244 OA ATOM 32 O UNK A 1 -2.563 10.245 -4.296 0.00 0.00 -0.244 OA ENDBRANCH 29 30 BRANCH 29 33 ATOM 33 C UNK A 1 -1.732 7.077 -5.625 0.00 0.00 +0.027 C BRANCH 33 35 ATOM 34 C UNK A 1 -3.787 6.265 -6.973 0.00 0.00 +0.000 C ATOM 35 C UNK A 1 -2.232 5.961 -6.448 0.00 0.00 +0.002 C ATOM 36 C UNK A 1 -1.607 5.991 -8.156 0.00 0.00 +0.000 C ENDBRANCH 33 35 ENDBRANCH 29 33 ENDBRANCH 26 29 ENDBRANCH 25 27 BRANCH 25 37 ATOM 37 C UNK A 1 3.197 7.834 -4.687 0.00 0.00 +0.035 C BRANCH 37 38 ATOM 38 C UNK A 1 3.885 6.917 -5.757 0.00 0.00 +0.090 C BRANCH 38 39 ATOM 39 C UNK A 1 4.206 6.490 -7.063 0.00 0.00 +0.261 C ATOM 40 O UNK A 1 5.316 6.483 -7.630 0.00 0.00 -0.272 OA ATOM 41 N UNK A 1 2.961 6.108 -7.885 0.00 0.00 -0.088 NA ENDBRANCH 38 39 ENDBRANCH 37 38 ENDBRANCH 25 37 ENDBRANCH 22 25 ENDBRANCH 21 23 BRANCH 21 42 ATOM 42 C UNK A 1 1.593 9.152 0.386 0.00 0.00 +0.025 C BRANCH 42 43 ATOM 43 C UNK A 1 0.067 9.700 0.489 0.00 0.00 +0.003 C BRANCH 43 44 ATOM 44 C UNK A 1 -1.263 10.444 0.424 0.00 0.00 +0.021 C BRANCH 44 45 ATOM 45 C UNK A 1 -2.589 11.200 0.257 0.00 0.00 +0.109 C ATOM 46 N UNK A 1 -3.758 12.046 0.148 0.00 0.00 -0.131 NA ENDBRANCH 44 45 ENDBRANCH 43 44 ENDBRANCH 42 43 ENDBRANCH 21 42 ENDBRANCH 18 21 ENDBRANCH 17 19 BRANCH 17 47 ATOM 47 C UNK A 1 4.857 6.174 1.665 0.00 0.00 +0.027 C BRANCH 47 48 ATOM 48 C UNK A 1 6.009 5.439 0.880 0.00 0.00 +0.028 C BRANCH 48 49 ATOM 49 C UNK A 1 7.471 5.644 0.412 0.00 0.00 +0.129 C BRANCH 49 50 ATOM 50 N UNK A 1 8.609 6.321 0.510 0.00 0.00 -0.234 NA ATOM 51 C UNK A 1 8.793 6.675 1.764 0.00 0.00 +0.284 C ATOM 52 N UNK A 1 7.969 6.455 2.956 0.00 0.00 -0.104 NA ATOM 53 N UNK A 1 9.925 7.609 1.934 0.00 0.00 -0.104 NA ENDBRANCH 49 50 ENDBRANCH 48 49 ENDBRANCH 47 48 ENDBRANCH 17 47 ENDBRANCH 14 17 ENDBRANCH 7 15 ENDBRANCH 5 9 ENDBRANCH 2 5 ENDBRANCH 1 3 BRANCH 1 54 ATOM 54 N UNK A 1 8.666 1.553 3.023 0.00 0.00 -0.202 NA ATOM 55 C UNK A 1 7.675 1.744 1.970 0.00 0.00 +0.264 C ATOM 56 O UNK A 1 6.989 2.747 1.964 0.00 0.00 -0.271 OA BRANCH 55 57 ATOM 57 C UNK A 1 7.887 0.921 0.620 0.00 0.00 +0.201 C BRANCH 57 58 ATOM 58 N UNK A 1 7.891 0.326 -0.870 0.00 0.00 -0.194 NA ATOM 59 C UNK A 1 6.777 0.510 -1.655 0.00 0.00 +0.264 C ATOM 60 O UNK A 1 6.018 1.486 -1.472 0.00 0.00 -0.271 OA BRANCH 59 61 ATOM 61 C UNK A 1 6.737 -0.216 -3.112 0.00 0.00 +0.201 C BRANCH 61 62 ATOM 62 N UNK A 1 6.519 -1.390 -4.091 0.00 0.00 -0.194 NA ATOM 63 C UNK A 1 6.364 -1.364 -5.480 0.00 0.00 +0.258 C ATOM 64 O UNK A 1 6.742 -0.629 -6.427 0.00 0.00 -0.272 OA BRANCH 63 65 ATOM 65 C UNK A 1 5.985 -3.035 -6.032 0.00 0.00 +0.217 C BRANCH 65 66 ATOM 66 C UNK A 1 7.313 -3.655 -6.766 0.00 0.00 +0.196 C ATOM 67 O UNK A 1 7.550 -5.000 -7.001 0.00 0.00 -0.228 OA ATOM 68 C UNK A 1 8.793 -3.143 -6.405 0.00 0.00 +0.030 C ENDBRANCH 65 66 BRANCH 65 69 ATOM 69 N UNK A 1 4.834 -3.098 -7.127 0.00 0.00 -0.201 NA ATOM 70 C UNK A 1 3.974 -4.077 -7.548 0.00 0.00 +0.258 C ATOM 71 O UNK A 1 3.797 -4.122 -8.816 0.00 0.00 -0.272 OA BRANCH 70 72 ATOM 72 C UNK A 1 3.309 -5.195 -6.683 0.00 0.00 +0.225 C BRANCH 72 73 ATOM 73 N UNK A 1 2.673 -5.191 -5.319 0.00 0.00 -0.200 NA ATOM 74 C UNK A 1 1.931 -4.128 -4.933 0.00 0.00 +0.256 C ATOM 75 O UNK A 1 1.181 -3.558 -5.743 0.00 0.00 -0.272 OA BRANCH 74 76 ATOM 76 C UNK A 1 1.973 -3.615 -3.286 0.00 0.00 +0.192 C BRANCH 76 77 ATOM 77 N UNK A 1 3.262 -3.332 -2.541 0.00 0.00 -0.203 NA ATOM 78 C UNK A 1 3.561 -4.048 -1.438 0.00 0.00 +0.255 C ATOM 79 O UNK A 1 3.713 -5.283 -1.412 0.00 0.00 -0.272 OA BRANCH 78 80 ATOM 80 C UNK A 1 4.032 -3.194 -0.091 0.00 0.00 +0.193 C BRANCH 80 81 ATOM 81 N UNK A 1 2.839 -2.965 0.780 0.00 0.00 -0.203 NA ATOM 82 C UNK A 1 2.857 -2.188 1.894 0.00 0.00 +0.255 C ATOM 83 O UNK A 1 3.894 -1.699 2.380 0.00 0.00 -0.272 OA BRANCH 82 84 ATOM 84 C UNK A 1 1.521 -2.066 2.616 0.00 0.00 +0.193 C ATOM 85 C UNK A 1 1.713 -2.953 4.100 0.00 0.00 +0.027 C BRANCH 84 86 ATOM 86 N UNK A 1 0.267 -2.441 1.986 0.00 0.00 -0.203 NA ATOM 87 C UNK A 1 -0.595 -1.419 1.756 0.00 0.00 +0.258 C ATOM 88 O UNK A 1 -0.970 -0.607 2.597 0.00 0.00 -0.272 OA BRANCH 87 89 ATOM 89 C UNK A 1 -0.920 -1.185 0.120 0.00 0.00 +0.217 C BRANCH 89 90 ATOM 90 C UNK A 1 -1.352 0.398 -0.218 0.00 0.00 +0.196 C ATOM 91 O UNK A 1 -1.618 0.646 -1.511 0.00 0.00 -0.228 OA ATOM 92 C UNK A 1 -0.145 1.446 0.133 0.00 0.00 +0.030 C ENDBRANCH 89 90 BRANCH 89 93 ATOM 93 N UNK A 1 -1.865 -2.303 -0.340 0.00 0.00 -0.201 NA ATOM 94 C UNK A 1 -3.167 -2.083 -0.637 0.00 0.00 +0.256 C ATOM 95 O UNK A 1 -4.034 -1.558 0.073 0.00 0.00 -0.272 OA BRANCH 94 96 ATOM 96 C UNK A 1 -3.612 -2.620 -2.133 0.00 0.00 +0.193 C BRANCH 96 97 ATOM 97 N UNK A 1 -4.706 -3.494 -2.546 0.00 0.00 -0.203 NA ATOM 98 C UNK A 1 -5.144 -4.465 -1.712 0.00 0.00 +0.255 C ATOM 99 O UNK A 1 -4.862 -4.652 -0.511 0.00 0.00 -0.272 OA BRANCH 98 100 ATOM 100 C UNK A 1 -6.194 -5.473 -2.325 0.00 0.00 +0.192 C BRANCH 100 101 ATOM 101 N UNK A 1 -7.633 -5.062 -2.844 0.00 0.00 -0.203 NA ATOM 102 C UNK A 1 -8.692 -5.656 -2.258 0.00 0.00 +0.258 C ATOM 103 O UNK A 1 -9.542 -6.270 -2.909 0.00 0.00 -0.272 OA BRANCH 102 104 ATOM 104 C UNK A 1 -9.062 -5.164 -0.694 0.00 0.00 +0.217 C BRANCH 104 105 ATOM 105 C UNK A 1 -9.471 -6.409 0.388 0.00 0.00 +0.196 C ATOM 106 O UNK A 1 -8.930 -7.604 0.135 0.00 0.00 -0.228 OA ATOM 107 C UNK A 1 -11.003 -6.710 0.590 0.00 0.00 +0.030 C ENDBRANCH 104 105 BRANCH 104 108 ATOM 108 N UNK A 1 -10.268 -4.100 -0.812 0.00 0.00 -0.201 NA ATOM 109 C UNK A 1 -10.311 -3.079 0.029 0.00 0.00 +0.256 C ATOM 110 O UNK A 1 -10.765 -3.129 1.232 0.00 0.00 -0.272 OA BRANCH 109 111 ATOM 111 C UNK A 1 -9.924 -1.594 -0.502 0.00 0.00 +0.193 C BRANCH 111 112 ATOM 112 N UNK A 1 -10.753 -1.011 -1.640 0.00 0.00 -0.203 NA ATOM 113 C UNK A 1 -10.338 -0.068 -2.555 0.00 0.00 +0.255 C ATOM 114 O UNK A 1 -10.640 1.213 -2.528 0.00 0.00 -0.272 OA BRANCH 113 115 ATOM 115 C UNK A 1 -9.953 -0.735 -3.997 0.00 0.00 +0.192 C ATOM 116 C UNK A 1 -11.735 -0.739 -4.525 0.00 0.00 +0.027 C BRANCH 115 117 ATOM 117 N UNK A 1 -9.050 0.161 -5.156 0.00 0.00 -0.204 NA ATOM 118 C UNK A 0 -9.867 1.000 -5.703 0.00 0.00 +0.242 C ATOM 119 O UNK A 0 -10.904 0.740 -6.436 0.00 0.00 -0.273 OA ATOM 120 C UNK A 0 -9.509 2.528 -6.366 0.00 0.00 +0.096 C ENDBRANCH 115 117 ENDBRANCH 113 115 ENDBRANCH 111 112 BRANCH 111 121 ATOM 121 C UNK A 1 -9.861 -0.531 0.518 0.00 0.00 +0.027 C BRANCH 121 122 ATOM 122 C UNK A 1 -9.501 0.686 1.613 0.00 0.00 +0.028 C BRANCH 122 123 ATOM 123 C UNK A 1 -9.441 1.738 2.652 0.00 0.00 +0.129 C BRANCH 123 124 ATOM 124 N UNK A 1 -9.371 2.651 3.611 0.00 0.00 -0.234 NA ATOM 125 C UNK A 1 -8.248 2.833 4.329 0.00 0.00 +0.284 C ATOM 126 N UNK A 1 -7.172 1.780 4.377 0.00 0.00 -0.104 NA ATOM 127 N UNK A 1 -8.321 4.045 5.264 0.00 0.00 -0.104 NA ENDBRANCH 123 124 ENDBRANCH 122 123 ENDBRANCH 121 122 ENDBRANCH 111 121 ENDBRANCH 109 111 ENDBRANCH 104 108 ENDBRANCH 102 104 ENDBRANCH 100 101 BRANCH 100 128 ATOM 128 C UNK A 1 -5.523 -6.266 -3.353 0.00 0.00 +0.025 C BRANCH 128 129 ATOM 129 C UNK A 1 -4.434 -7.142 -3.907 0.00 0.00 +0.003 C BRANCH 129 130 ATOM 130 C UNK A 1 -3.249 -8.088 -4.136 0.00 0.00 +0.021 C BRANCH 130 131 ATOM 131 C UNK A 1 -1.991 -8.941 -3.873 0.00 0.00 +0.109 C ATOM 132 N UNK A 1 -0.842 -9.708 -3.510 0.00 0.00 -0.131 NA ENDBRANCH 130 131 ENDBRANCH 129 130 ENDBRANCH 128 129 ENDBRANCH 100 128 ENDBRANCH 98 100 ENDBRANCH 96 97 BRANCH 96 133 ATOM 133 C UNK A 1 -4.278 -1.422 -2.743 0.00 0.00 +0.035 C BRANCH 133 134 ATOM 134 C UNK A 1 -5.180 -0.177 -2.398 0.00 0.00 +0.090 C BRANCH 134 135 ATOM 135 C UNK A 1 -6.133 0.561 -1.616 0.00 0.00 +0.261 C ATOM 136 O UNK A 1 -7.204 0.852 -2.234 0.00 0.00 -0.272 OA ATOM 137 N UNK A 1 -5.847 1.458 -0.520 0.00 0.00 -0.088 NA ENDBRANCH 134 135 ENDBRANCH 133 134 ENDBRANCH 96 133 ENDBRANCH 94 96 ENDBRANCH 89 93 ENDBRANCH 87 89 ENDBRANCH 84 86 ENDBRANCH 82 84 ENDBRANCH 80 81 BRANCH 80 138 ATOM 138 C UNK A 1 5.109 -4.079 0.781 0.00 0.00 +0.027 C BRANCH 138 139 ATOM 139 C UNK A 1 5.990 -4.932 1.863 0.00 0.00 +0.028 C BRANCH 139 140 ATOM 140 C UNK A 1 6.232 -5.841 3.316 0.00 0.00 +0.129 C BRANCH 140 141 ATOM 141 N UNK A 1 5.660 -6.794 3.998 0.00 0.00 -0.234 NA ATOM 142 C UNK A 1 4.422 -6.843 3.614 0.00 0.00 +0.284 C ATOM 143 N UNK A 1 3.571 -6.376 2.567 0.00 0.00 -0.104 NA ATOM 144 N UNK A 1 3.512 -7.799 4.496 0.00 0.00 -0.104 NA ENDBRANCH 140 141 ENDBRANCH 139 140 ENDBRANCH 138 139 ENDBRANCH 80 138 ENDBRANCH 78 80 ENDBRANCH 76 77 BRANCH 76 145 ATOM 145 C UNK A 1 1.211 -2.280 -3.364 0.00 0.00 +0.025 C BRANCH 145 146 ATOM 146 C UNK A 1 0.326 -1.223 -4.117 0.00 0.00 +0.003 C BRANCH 146 147 ATOM 147 C UNK A 1 -0.147 -0.611 -5.397 0.00 0.00 +0.021 C BRANCH 147 148 ATOM 148 C UNK A 1 -0.375 -0.428 -6.863 0.00 0.00 +0.109 C ATOM 149 N UNK A 1 -0.520 -0.447 -8.320 0.00 0.00 -0.131 NA ENDBRANCH 147 148 ENDBRANCH 146 147 ENDBRANCH 145 146 ENDBRANCH 76 145 ENDBRANCH 74 76 ENDBRANCH 72 73 BRANCH 72 150 ATOM 150 C UNK A 1 2.588 -6.377 -7.738 0.00 0.00 +0.207 C ATOM 151 O UNK A 1 2.072 -7.443 -8.721 0.00 0.00 -0.218 OA ENDBRANCH 72 150 ENDBRANCH 70 72 ENDBRANCH 65 69 ENDBRANCH 63 65 ENDBRANCH 61 62 ENDBRANCH 59 61 ENDBRANCH 57 58 ENDBRANCH 55 57 ENDBRANCH 1 54 BRANCH 1 152 ATOM 152 C UNK A 1 9.005 0.437 4.908 0.00 0.00 +0.025 C BRANCH 152 153 ATOM 153 C UNK A 1 10.182 -0.651 4.757 0.00 0.00 +0.004 C BRANCH 153 154 ATOM 154 C UNK A 1 11.269 -1.486 4.104 0.00 0.00 +0.023 C BRANCH 154 155 ATOM 155 C UNK A 1 11.710 -2.661 3.244 0.00 0.00 +0.115 C BRANCH 155 156 ATOM 156 N UNK A 1 11.407 -3.678 2.212 0.00 0.00 -0.205 NA ATOM 157 C UNK A 1 11.099 -3.064 0.915 0.00 0.00 +0.252 C ATOM 158 O UNK A 1 11.756 -2.179 0.415 0.00 0.00 -0.272 OA BRANCH 157 159 ATOM 159 C UNK A 1 10.194 -3.952 0.165 0.00 0.00 +0.144 C BRANCH 159 160 ATOM 160 S UNK A 1 9.633 -5.175 -0.933 0.00 0.00 -0.129 S BRANCH 160 161 ATOM 161 C UNK A 1 8.392 -6.149 -0.346 0.00 0.00 +0.081 C BRANCH 161 162 ATOM 162 C UNK A 1 7.588 -7.602 -0.298 0.00 0.00 +0.127 C BRANCH 162 163 ATOM 163 N UNK A 1 7.090 -8.862 -0.911 0.00 0.00 -0.204 NA ATOM 164 C UNK A 1 6.378 -9.642 -0.070 0.00 0.00 +0.243 C ATOM 165 O UNK A 1 6.891 -10.668 0.472 0.00 0.00 -0.273 OA BRANCH 164 166 ATOM 166 C UNK A 1 4.923 -9.417 0.248 0.00 0.00 +0.110 C BRANCH 166 167 ATOM 167 C UNK A 1 3.366 -9.421 0.902 0.00 0.00 +0.125 C BRANCH 167 168 ATOM 168 N UNK A 1 2.252 -9.139 1.942 0.00 0.00 -0.203 NA ATOM 169 C UNK A 1 0.948 -8.786 1.615 0.00 0.00 +0.265 C ATOM 170 O UNK A 1 0.189 -9.663 1.011 0.00 0.00 -0.271 OA BRANCH 169 171 ATOM 171 C UNK A 1 0.316 -7.573 2.717 0.00 0.00 +0.254 C ATOM 172 O UNK A 1 0.336 -8.200 3.926 0.00 0.00 -0.220 OA BRANCH 171 173 ATOM 173 C UNK A 1 -1.288 -6.869 2.283 0.00 0.00 +0.058 C ATOM 174 C UNK A 1 -1.557 -7.093 0.724 0.00 0.00 +0.005 C ATOM 175 C UNK A 1 -2.430 -8.085 2.956 0.00 0.00 +0.005 C BRANCH 173 176 ATOM 176 C UNK A 1 -1.735 -5.551 3.057 0.00 0.00 +0.156 C BRANCH 176 177 ATOM 177 O UNK A 1 -2.201 -4.359 3.612 0.00 0.00 -0.271 OA BRANCH 177 178 ATOM 178 P UNK A 1 -3.082 -4.049 5.012 0.00 0.00 +0.514 P ATOM 179 O UNK A 1 -2.145 -4.161 6.207 0.00 0.00 -0.224 OA ATOM 180 O UNK A 1 -4.241 -5.139 5.140 0.00 0.00 -0.116 OA BRANCH 178 181 ATOM 181 O UNK A 1 -3.637 -2.480 4.861 0.00 0.00 -0.183 OA BRANCH 181 182 ATOM 182 P UNK A 1 -4.558 -1.399 5.637 0.00 0.00 +0.514 P ATOM 183 O UNK A 1 -5.960 -1.268 5.021 0.00 0.00 -0.224 OA ATOM 184 O UNK A 1 -4.743 -1.626 7.130 0.00 0.00 -0.116 OA BRANCH 182 185 ATOM 185 O UNK A 1 -3.831 0.083 5.346 0.00 0.00 -0.269 OA BRANCH 185 186 ATOM 186 C UNK A 1 -3.688 1.159 4.449 0.00 0.00 +0.179 C BRANCH 186 187 ATOM 187 C UNK A 1 -3.154 2.528 3.865 0.00 0.00 +0.191 C ATOM 188 C UNK A 1 -3.916 3.985 4.293 0.00 0.00 +0.198 C ATOM 189 C UNK A 1 -3.764 4.869 2.906 0.00 0.00 +0.238 C ATOM 190 O UNK A 1 -3.537 6.155 3.127 0.00 0.00 -0.224 OA ATOM 191 C UNK A 1 -2.643 4.040 2.167 0.00 0.00 +0.257 C ATOM 192 O UNK A 1 -3.129 2.647 2.347 0.00 0.00 -0.345 OA BRANCH 191 193 ATOM 193 N UNK A 1 -2.207 4.415 0.762 0.00 0.00 -0.285 N ATOM 194 C UNK A 1 -2.747 4.241 -0.491 0.00 0.00 +0.168 A ATOM 195 C UNK A 1 -1.723 4.400 -1.403 0.00 0.00 +0.151 A ATOM 196 C UNK A 1 -1.951 4.056 -2.729 0.00 0.00 +0.191 A ATOM 197 N UNK A 1 -3.205 3.771 -3.112 0.00 0.00 -0.215 NA ATOM 198 C UNK A 1 -4.119 3.677 -2.153 0.00 0.00 +0.225 A ATOM 199 N UNK A 1 -0.912 4.181 -3.748 0.00 0.00 -0.105 NA ATOM 200 N UNK A 1 -0.685 5.128 -0.776 0.00 0.00 -0.230 NA ATOM 201 N UNK A 1 -4.064 3.962 -0.872 0.00 0.00 -0.216 NA ATOM 202 C UNK A 1 -0.952 4.984 0.494 0.00 0.00 +0.203 A ENDBRANCH 191 193 BRANCH 188 203 ATOM 203 O UNK A 1 -3.431 4.576 5.627 0.00 0.00 -0.275 OA BRANCH 203 204 ATOM 204 P UNK A 1 -4.319 5.231 6.891 0.00 0.00 +0.532 P ATOM 205 O UNK A 1 -3.283 5.655 7.982 0.00 0.00 -0.222 OA ATOM 206 O UNK A 1 -5.326 4.252 7.466 0.00 0.00 -0.115 OA ATOM 207 O UNK A 1 -5.117 6.498 6.493 0.00 0.00 -0.115 OA ENDBRANCH 203 204 ENDBRANCH 188 203 ENDBRANCH 186 187 ENDBRANCH 185 186 ENDBRANCH 182 185 ENDBRANCH 181 182 ENDBRANCH 178 181 ENDBRANCH 177 178 ENDBRANCH 176 177 ENDBRANCH 173 176 ENDBRANCH 171 173 ENDBRANCH 169 171 ENDBRANCH 167 168 ENDBRANCH 166 167 ENDBRANCH 164 166 ENDBRANCH 162 163 ENDBRANCH 161 162 ENDBRANCH 160 161 ENDBRANCH 159 160 ENDBRANCH 157 159 ENDBRANCH 155 156 ENDBRANCH 154 155 ENDBRANCH 153 154 ENDBRANCH 152 153 ENDBRANCH 1 152 TORSDOF 101