REMARK Name = BDB034660 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.535 -0.782 -0.152 0.00 0.00 -0.292 N ATOM 2 C LIG 1 -1.538 0.203 -0.043 0.00 0.00 +0.267 C ATOM 3 O LIG 1 -1.475 1.265 -0.674 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 4 ATOM 4 C LIG 1 0.772 -0.344 -0.688 0.00 0.00 +0.091 C ATOM 5 C LIG 1 1.853 -0.283 0.400 0.00 0.00 +0.037 C ATOM 6 C LIG 1 3.111 0.418 -0.152 0.00 0.00 +0.091 C ATOM 7 C LIG 1 3.357 0.087 -1.641 0.00 0.00 +0.093 C ATOM 8 N LIG 1 2.731 -1.157 -2.083 0.00 0.00 -0.313 NA ATOM 9 H LIG 1 2.956 -1.350 -3.058 0.00 0.00 +0.122 HD ATOM 10 C LIG 1 1.274 -1.167 -1.900 0.00 0.00 +0.103 C BRANCH 6 11 ATOM 11 C LIG 1 4.347 0.122 0.703 0.00 0.00 +0.220 C ATOM 12 N LIG 1 5.494 0.886 0.478 0.00 0.00 -0.297 N ATOM 13 C LIG 1 5.472 2.231 -0.112 0.00 0.00 +0.136 C ATOM 14 C LIG 1 6.846 2.636 -0.657 0.00 0.00 +0.179 C ATOM 15 O LIG 1 7.864 2.492 0.340 0.00 0.00 -0.377 OA ATOM 16 C LIG 1 7.951 1.124 0.765 0.00 0.00 +0.179 C ATOM 17 C LIG 1 6.630 0.651 1.376 0.00 0.00 +0.136 C ATOM 18 O LIG 1 4.335 -0.768 1.555 0.00 0.00 -0.275 OA ENDBRANCH 6 11 ENDBRANCH 1 4 BRANCH 2 19 ATOM 19 C LIG 1 -2.743 0.015 0.838 0.00 0.00 +0.146 A ATOM 20 C LIG 1 -3.985 0.560 0.446 0.00 0.00 +0.059 A ATOM 21 C LIG 1 -5.059 0.346 1.318 0.00 0.00 +0.039 A ATOM 22 C LIG 1 -4.875 -0.324 2.535 0.00 0.00 +0.075 A ATOM 23 C LIG 1 -3.600 -0.767 2.843 0.00 0.00 +0.124 A ATOM 24 N LIG 1 -2.535 -0.617 2.027 0.00 0.00 -0.248 NA BRANCH 22 25 ATOM 25 C LIG 1 -5.996 -0.534 3.507 0.00 0.00 +0.419 C ATOM 26 F LIG 1 -6.035 0.431 4.465 0.00 0.00 -0.166 F ATOM 27 F LIG 1 -5.906 -1.719 4.171 0.00 0.00 -0.166 F ATOM 28 F LIG 1 -7.223 -0.530 2.918 0.00 0.00 -0.166 F ENDBRANCH 22 25 BRANCH 20 29 ATOM 29 N LIG 1 -4.178 1.186 -0.814 0.00 0.00 -0.335 N ATOM 30 H LIG 1 -3.272 1.551 -1.150 0.00 0.00 +0.147 HD BRANCH 29 31 ATOM 31 C LIG 1 -5.286 2.034 -1.175 0.00 0.00 +0.122 C ATOM 32 C LIG 1 -5.134 2.688 -2.555 0.00 0.00 +0.184 C ATOM 33 O LIG 1 -5.294 4.013 -1.987 0.00 0.00 -0.376 OA ATOM 34 C LIG 1 -5.178 3.470 -0.648 0.00 0.00 +0.184 C ENDBRANCH 29 31 ENDBRANCH 20 29 ENDBRANCH 2 19 BRANCH 1 35 ATOM 35 C LIG 1 -0.619 -2.126 0.452 0.00 0.00 +0.111 C BRANCH 35 37 ATOM 36 C LIG 1 -1.631 -3.324 -1.561 0.00 0.00 +0.009 C ATOM 37 C LIG 1 -1.778 -3.000 -0.074 0.00 0.00 +0.000 C ATOM 38 C LIG 1 -1.852 -4.298 0.735 0.00 0.00 +0.009 C ENDBRANCH 35 37 ENDBRANCH 1 35 TORSDOF 8