REMARK Name = BDB048084 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 1 -1.061 -2.185 -2.164 0.00 0.00 +0.159 C ENDROOT BRANCH 1 4 ATOM 2 N UNK A 1 -3.110 -2.367 -0.772 0.00 0.00 -0.302 N ATOM 3 H UNK A 1 -3.262 -3.278 -1.193 0.00 0.00 +0.150 HD ATOM 4 C UNK A 1 -2.019 -1.597 -1.093 0.00 0.00 +0.234 C ATOM 5 O UNK A 1 -1.870 -0.466 -0.628 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 C UNK A 1 -4.106 -1.937 0.208 0.00 0.00 +0.159 C BRANCH 6 9 ATOM 7 N UNK A 1 -5.167 -3.183 2.054 0.00 0.00 -0.299 N ATOM 8 H UNK A 1 -5.339 -2.267 2.457 0.00 0.00 +0.150 HD ATOM 9 C UNK A 1 -4.749 -3.231 0.744 0.00 0.00 +0.234 C ATOM 10 O UNK A 1 -4.861 -4.237 0.043 0.00 0.00 -0.274 OA BRANCH 7 11 ATOM 11 C UNK A 1 -5.921 -4.299 2.644 0.00 0.00 +0.207 C BRANCH 11 12 ATOM 12 C UNK A 1 -7.410 -3.981 2.523 0.00 0.00 +0.330 C ATOM 13 O UNK A 1 -7.872 -2.846 2.591 0.00 0.00 -0.249 OA BRANCH 12 15 ATOM 14 C UNK A 1 -9.547 -4.898 2.247 0.00 0.00 +0.280 C ATOM 15 O UNK A 1 -8.140 -5.117 2.350 0.00 0.00 -0.467 OA ENDBRANCH 12 15 ENDBRANCH 11 12 BRANCH 11 16 ATOM 16 C UNK A 1 -5.570 -4.474 4.124 0.00 0.00 +0.189 C BRANCH 16 17 ATOM 17 O UNK A 1 -5.833 -5.801 4.573 0.00 0.00 -0.393 OA ATOM 18 H UNK A 1 -5.194 -6.397 4.141 0.00 0.00 +0.209 HD ENDBRANCH 16 17 ENDBRANCH 11 16 ENDBRANCH 7 11 ENDBRANCH 6 9 BRANCH 6 19 ATOM 19 C UNK A 1 -5.135 -1.007 -0.452 0.00 0.00 +0.032 C BRANCH 19 20 ATOM 20 C UNK A 1 -6.014 -0.265 0.558 0.00 0.00 +0.003 C BRANCH 20 21 ATOM 21 C UNK A 1 -6.926 0.783 -0.091 0.00 0.00 +0.015 C BRANCH 21 22 ATOM 22 C UNK A 1 -6.164 2.020 -0.580 0.00 0.00 +0.081 C BRANCH 22 23 ATOM 23 N UNK A 1 -7.114 3.007 -1.096 0.00 0.00 -0.313 NA ATOM 24 H UNK A 1 -7.663 2.588 -1.847 0.00 0.00 +0.122 HD BRANCH 23 25 ATOM 25 C UNK A 1 -6.451 4.209 -1.593 0.00 0.00 +0.054 C ATOM 26 C UNK A 1 -7.451 5.167 -2.241 0.00 0.00 +0.019 C ATOM 27 C UNK A 1 -6.721 6.507 -2.279 0.00 0.00 +0.002 C ATOM 28 C UNK A 1 -5.643 6.434 -1.197 0.00 0.00 +0.002 C ATOM 29 C UNK A 1 -5.835 5.088 -0.506 0.00 0.00 +0.019 C ENDBRANCH 23 25 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 6 19 ENDBRANCH 2 6 ENDBRANCH 1 4 BRANCH 1 30 ATOM 30 N UNK A 1 0.096 -1.290 -2.272 0.00 0.00 -0.302 N ATOM 31 H UNK A 1 -0.117 -0.390 -2.686 0.00 0.00 +0.150 HD ATOM 32 C UNK A 1 1.095 -1.260 -1.318 0.00 0.00 +0.234 C ATOM 33 O UNK A 1 1.226 -2.103 -0.431 0.00 0.00 -0.274 OA BRANCH 32 34 ATOM 34 C UNK A 1 2.068 -0.071 -1.457 0.00 0.00 +0.156 C ATOM 35 C UNK A 1 2.858 -0.163 -2.757 0.00 0.00 +0.038 C BRANCH 34 36 ATOM 36 N UNK A 1 2.960 -0.091 -0.304 0.00 0.00 -0.303 N ATOM 37 H UNK A 1 3.059 -0.982 0.175 0.00 0.00 +0.149 HD ATOM 38 C UNK A 1 3.613 1.029 0.147 0.00 0.00 +0.234 C ATOM 39 O UNK A 1 3.481 2.135 -0.377 0.00 0.00 -0.274 OA BRANCH 38 40 ATOM 40 C UNK A 1 4.478 0.807 1.401 0.00 0.00 +0.163 C BRANCH 40 41 ATOM 41 N UNK A 1 5.458 1.894 1.449 0.00 0.00 -0.302 N ATOM 42 H UNK A 1 5.059 2.827 1.458 0.00 0.00 +0.150 HD ATOM 43 C UNK A 0 6.652 1.768 0.766 0.00 0.00 +0.231 C ATOM 44 O UNK A 0 7.043 0.713 0.270 0.00 0.00 -0.274 OA BRANCH 43 45 ATOM 45 C UNK A 0 7.450 3.068 0.675 0.00 0.00 +0.200 C BRANCH 45 46 ATOM 46 N UNK A 0 8.658 2.851 -0.095 0.00 0.00 -0.303 N ATOM 47 H UNK A 0 8.735 1.956 -0.568 0.00 0.00 +0.150 HD ATOM 48 C UNK A 0 9.493 3.897 -0.408 0.00 0.00 +0.244 C ATOM 49 O UNK A 0 9.302 5.042 -0.014 0.00 0.00 -0.270 OA BRANCH 48 50 ATOM 50 C UNK A 0 10.645 3.583 -1.298 0.00 0.00 +0.037 A ATOM 51 C UNK A 0 11.166 4.611 -2.095 0.00 0.00 +0.013 A ATOM 52 C UNK A 0 12.241 4.361 -2.949 0.00 0.00 +0.001 A ATOM 53 C UNK A 0 12.805 3.087 -3.005 0.00 0.00 +0.000 A ATOM 54 C UNK A 0 12.303 2.065 -2.201 0.00 0.00 +0.001 A ATOM 55 C UNK A 0 11.225 2.309 -1.346 0.00 0.00 +0.013 A ENDBRANCH 48 50 ENDBRANCH 45 46 ENDBRANCH 43 45 ENDBRANCH 40 41 BRANCH 40 56 ATOM 56 C UNK A 1 3.564 0.795 2.635 0.00 0.00 +0.067 C BRANCH 56 57 ATOM 57 C UNK A 1 4.259 0.281 3.873 0.00 0.00 -0.045 A ATOM 58 C UNK A 1 4.899 1.165 4.752 0.00 0.00 +0.004 A ATOM 59 C UNK A 1 5.554 0.683 5.887 0.00 0.00 +0.000 A ATOM 60 C UNK A 1 5.576 -0.685 6.152 0.00 0.00 +0.000 A ATOM 61 C UNK A 1 4.946 -1.573 5.282 0.00 0.00 +0.000 A ATOM 62 C UNK A 1 4.291 -1.094 4.147 0.00 0.00 +0.004 A ENDBRANCH 56 57 ENDBRANCH 40 56 ENDBRANCH 38 40 ENDBRANCH 34 36 ENDBRANCH 32 34 ENDBRANCH 1 30 BRANCH 1 63 ATOM 63 C UNK A 1 -0.723 -3.674 -1.966 0.00 0.00 +0.034 C BRANCH 63 64 ATOM 64 C UNK A 1 0.320 -4.250 -2.946 0.00 0.00 -0.015 C ATOM 65 C UNK A 1 0.600 -5.715 -2.600 0.00 0.00 +0.007 C ATOM 66 C UNK A 1 -0.131 -4.140 -4.404 0.00 0.00 +0.007 C ENDBRANCH 63 64 ENDBRANCH 1 63 TORSDOF 26