REMARK Name = BDB022765 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.492 -1.736 -0.826 0.00 0.00 +0.101 A ATOM 2 C LIG 1 0.585 -0.598 -1.685 0.00 0.00 +0.080 A ATOM 3 C LIG 1 -0.726 -0.360 -2.060 0.00 0.00 +0.122 A ATOM 4 N LIG 1 -1.495 -1.290 -1.427 0.00 0.00 -0.266 N ATOM 5 N LIG 1 -0.778 -2.162 -0.693 0.00 0.00 -0.173 NA ENDROOT BRANCH 2 6 ATOM 6 C LIG 1 1.710 0.192 -2.170 0.00 0.00 +0.248 C ATOM 7 N LIG 1 2.837 0.178 -1.390 0.00 0.00 -0.307 N ATOM 8 H LIG 1 2.774 -0.208 -0.459 0.00 0.00 +0.149 HD ATOM 9 O LIG 1 1.627 0.854 -3.201 0.00 0.00 -0.270 OA BRANCH 7 10 ATOM 10 C LIG 1 3.965 1.039 -1.675 0.00 0.00 +0.143 C BRANCH 10 11 ATOM 11 C LIG 1 5.231 0.618 -0.962 0.00 0.00 +0.021 A ATOM 12 C LIG 1 5.187 0.109 0.346 0.00 0.00 +0.170 A ATOM 13 F LIG 1 3.999 0.007 0.967 0.00 0.00 -0.201 F ATOM 14 C LIG 1 6.338 -0.298 1.039 0.00 0.00 +0.155 A ATOM 15 C LIG 1 7.579 -0.169 0.420 0.00 0.00 +0.049 A ATOM 16 C LIG 1 7.660 0.365 -0.868 0.00 0.00 +0.017 A ATOM 17 C LIG 1 6.499 0.760 -1.551 0.00 0.00 +0.044 A BRANCH 17 18 ATOM 18 C LIG 1 6.659 1.370 -2.891 0.00 0.00 +0.242 C ATOM 19 O LIG 1 6.118 2.425 -3.186 0.00 0.00 -0.270 OA ATOM 20 N LIG 1 7.426 0.671 -3.780 0.00 0.00 -0.325 N ATOM 21 H LIG 1 7.434 1.013 -4.731 0.00 0.00 +0.145 HD ATOM 22 H LIG 1 7.697 -0.290 -3.620 0.00 0.00 +0.145 HD ENDBRANCH 17 18 BRANCH 14 23 ATOM 23 O LIG 1 6.125 -0.795 2.296 0.00 0.00 -0.492 OA ATOM 24 C LIG 1 7.267 -1.188 3.045 0.00 0.00 +0.277 C ENDBRANCH 14 23 ENDBRANCH 10 11 ENDBRANCH 7 10 ENDBRANCH 2 6 BRANCH 1 25 ATOM 25 C LIG 1 1.582 -2.491 -0.129 0.00 0.00 +0.217 C BRANCH 25 27 ATOM 26 C LIG 1 2.403 -3.903 -1.845 0.00 0.00 +0.194 C ATOM 27 O LIG 1 2.694 -2.815 -0.977 0.00 0.00 -0.377 OA ENDBRANCH 25 27 ENDBRANCH 1 25 BRANCH 4 28 ATOM 28 C LIG 1 -2.939 -1.437 -1.549 0.00 0.00 +0.178 C BRANCH 28 29 ATOM 29 C LIG 1 -3.670 -0.619 -0.513 0.00 0.00 -0.026 A ATOM 30 C LIG 1 -3.934 -1.156 0.754 0.00 0.00 +0.006 A ATOM 31 C LIG 1 -4.604 -0.402 1.718 0.00 0.00 +0.006 A ATOM 32 C LIG 1 -5.008 0.911 1.442 0.00 0.00 -0.028 A ATOM 33 C LIG 1 -4.738 1.450 0.177 0.00 0.00 +0.006 A ATOM 34 C LIG 1 -4.077 0.694 -0.791 0.00 0.00 +0.006 A BRANCH 32 35 ATOM 35 C LIG 1 -5.739 1.721 2.490 0.00 0.00 +0.160 C BRANCH 35 36 ATOM 36 N LIG 1 -7.176 1.460 2.500 0.00 0.00 -0.311 N ATOM 37 C LIG 1 -7.677 0.534 3.415 0.00 0.00 +0.252 A ATOM 38 O LIG 1 -7.005 -0.079 4.239 0.00 0.00 -0.268 OA ATOM 39 C LIG 1 -9.147 0.301 3.366 0.00 0.00 +0.070 A ATOM 40 C LIG 1 -9.904 0.943 2.470 0.00 0.00 +0.007 A ATOM 41 C LIG 1 -9.309 1.866 1.538 0.00 0.00 +0.018 A ATOM 42 C LIG 1 -7.992 2.097 1.578 0.00 0.00 +0.089 A ENDBRANCH 35 36 ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 4 28 TORSDOF 11