REMARK Name = BDB064149 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.464 2.440 1.015 0.00 0.00 +0.164 C ATOM 2 N LIG 1 -1.802 1.847 0.928 0.00 0.00 -0.286 N ATOM 3 C LIG 1 -2.038 0.745 0.139 0.00 0.00 +0.237 C ATOM 4 O LIG 1 -1.113 0.182 -0.459 0.00 0.00 -0.274 OA ATOM 5 C LIG 1 -2.795 2.729 1.526 0.00 0.00 +0.140 C ATOM 6 C LIG 1 -1.990 3.797 2.268 0.00 0.00 +0.134 C ATOM 7 C LIG 1 -0.712 3.884 1.442 0.00 0.00 +0.065 C ENDROOT BRANCH 1 10 ATOM 8 N LIG 1 0.867 0.468 1.552 0.00 0.00 -0.310 N ATOM 9 H LIG 1 0.513 0.146 0.650 0.00 0.00 +0.149 HD ATOM 10 C LIG 1 0.367 1.651 2.046 0.00 0.00 +0.234 C ATOM 11 O LIG 1 0.524 2.018 3.208 0.00 0.00 -0.274 OA BRANCH 8 12 ATOM 12 C LIG 1 1.596 -0.470 2.369 0.00 0.00 +0.139 C BRANCH 12 18 ATOM 13 C LIG 1 4.896 -2.127 0.095 0.00 0.00 -0.006 A ATOM 14 C LIG 1 5.016 -0.809 0.598 0.00 0.00 -0.039 A ATOM 15 C LIG 1 6.248 0.020 0.314 0.00 0.00 +0.044 C ATOM 16 C LIG 1 3.964 -0.263 1.388 0.00 0.00 -0.042 A ATOM 17 C LIG 1 4.062 1.142 1.942 0.00 0.00 +0.044 C ATOM 18 C LIG 1 2.784 -1.023 1.611 0.00 0.00 -0.027 A ATOM 19 C LIG 1 2.686 -2.317 1.081 0.00 0.00 +0.006 A ATOM 20 C LIG 1 3.731 -2.864 0.342 0.00 0.00 +0.009 A BRANCH 13 23 ATOM 21 C LIG 1 5.302 -2.015 -3.093 0.00 0.00 +0.067 C ATOM 22 C LIG 1 6.133 -2.732 -2.091 0.00 0.00 +0.053 A ATOM 23 C LIG 1 5.935 -2.759 -0.718 0.00 0.00 +0.042 A ATOM 24 S LIG 1 7.137 -3.731 0.026 0.00 0.00 -0.075 S ATOM 25 C LIG 1 7.831 -4.019 -1.512 0.00 0.00 +0.156 A ATOM 26 N LIG 1 7.229 -3.457 -2.536 0.00 0.00 -0.252 NA ENDBRANCH 13 23 ENDBRANCH 12 18 ENDBRANCH 8 12 ENDBRANCH 1 10 BRANCH 6 27 ATOM 27 O LIG 1 -2.643 5.055 2.288 0.00 0.00 -0.390 OA ATOM 28 H LIG 1 -3.413 4.982 2.878 0.00 0.00 +0.210 HD ENDBRANCH 6 27 BRANCH 3 29 ATOM 29 C LIG 1 -3.487 0.206 0.031 0.00 0.00 +0.164 C BRANCH 29 30 ATOM 30 C LIG 1 -3.725 -1.094 0.864 0.00 0.00 -0.011 C ATOM 31 C LIG 1 -5.211 -1.497 0.746 0.00 0.00 +0.013 C ATOM 32 C LIG 1 -3.423 -0.845 2.354 0.00 0.00 +0.013 C ATOM 33 C LIG 1 -2.866 -2.284 0.391 0.00 0.00 +0.013 C ENDBRANCH 29 30 BRANCH 29 34 ATOM 34 N LIG 1 -3.719 -0.004 -1.400 0.00 0.00 -0.302 N ATOM 35 H LIG 1 -3.106 -0.671 -1.860 0.00 0.00 +0.150 HD ATOM 36 C LIG 1 -4.224 1.015 -2.179 0.00 0.00 +0.234 C ATOM 37 O LIG 1 -4.685 2.056 -1.729 0.00 0.00 -0.274 OA BRANCH 36 38 ATOM 38 C LIG 1 -4.184 0.770 -3.651 0.00 0.00 +0.133 C ATOM 39 C LIG 1 -4.896 -0.458 -4.208 0.00 0.00 +0.033 C ATOM 40 C LIG 1 -5.487 0.900 -4.433 0.00 0.00 +0.033 C BRANCH 38 41 ATOM 41 C LIG 1 -2.980 1.209 -4.309 0.00 0.00 +0.079 C ATOM 42 N LIG 1 -2.010 1.531 -4.861 0.00 0.00 -0.195 NA ENDBRANCH 38 41 ENDBRANCH 36 38 ENDBRANCH 29 34 ENDBRANCH 3 29 TORSDOF 10