REMARK Name = BDB034738 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.202 4.796 1.867 0.00 0.00 +0.154 C ATOM 2 N LIG 1 -2.491 3.655 1.369 0.00 0.00 -0.295 N ATOM 3 C LIG 1 -1.621 2.851 2.116 0.00 0.00 +0.072 A ATOM 4 C LIG 1 -1.156 1.831 1.283 0.00 0.00 +0.072 A ATOM 5 C LIG 1 -0.293 0.850 1.733 0.00 0.00 +0.054 A ATOM 6 C LIG 1 0.145 0.917 3.062 0.00 0.00 +0.070 A ATOM 7 C LIG 1 -0.354 1.961 3.889 0.00 0.00 +0.147 A ATOM 8 F LIG 1 0.046 2.010 5.171 0.00 0.00 -0.203 F ATOM 9 N LIG 1 -1.730 2.015 0.017 0.00 0.00 -0.292 N ATOM 10 C LIG 1 -1.236 2.941 3.432 0.00 0.00 +0.068 A ATOM 11 C LIG 1 -2.585 3.139 0.057 0.00 0.00 +0.330 A ATOM 12 O LIG 1 -3.269 3.571 -0.857 0.00 0.00 -0.246 OA ENDROOT BRANCH 6 13 ATOM 13 N LIG 1 0.996 -0.051 3.646 0.00 0.00 -0.296 N ATOM 14 H LIG 1 1.281 0.216 4.588 0.00 0.00 +0.154 HD BRANCH 13 15 ATOM 15 C LIG 1 1.935 -0.926 3.050 0.00 0.00 +0.147 A ATOM 16 C LIG 1 2.569 -1.880 3.841 0.00 0.00 +0.099 A ATOM 17 CL LIG 1 2.320 -2.009 5.538 0.00 0.00 -0.078 Cl ATOM 18 C LIG 1 3.439 -2.733 3.200 0.00 0.00 +0.138 A ATOM 19 N LIG 1 3.690 -2.688 1.878 0.00 0.00 -0.217 NA ATOM 20 C LIG 1 3.033 -1.743 1.174 0.00 0.00 +0.253 A ATOM 21 N LIG 1 2.165 -0.860 1.721 0.00 0.00 -0.194 NA BRANCH 20 22 ATOM 22 N LIG 1 3.260 -1.659 -0.245 0.00 0.00 -0.205 N ATOM 23 N LIG 1 4.112 -2.495 -0.905 0.00 0.00 -0.160 NA ATOM 24 C LIG 1 4.055 -2.113 -2.197 0.00 0.00 +0.166 A ATOM 25 C LIG 1 3.163 -1.024 -2.365 0.00 0.00 +0.054 A ATOM 26 C LIG 1 2.675 -0.757 -1.111 0.00 0.00 +0.118 A BRANCH 24 27 ATOM 27 C LIG 1 4.854 -2.792 -3.279 0.00 0.00 +0.436 C ATOM 28 F LIG 1 4.643 -2.213 -4.496 0.00 0.00 -0.164 F ATOM 29 F LIG 1 6.193 -2.733 -3.057 0.00 0.00 -0.164 F ATOM 30 F LIG 1 4.527 -4.104 -3.422 0.00 0.00 -0.164 F ENDBRANCH 24 27 ENDBRANCH 20 22 ENDBRANCH 13 15 ENDBRANCH 6 13 BRANCH 9 31 ATOM 31 C LIG 1 -1.530 1.160 -1.129 0.00 0.00 +0.130 C BRANCH 31 32 ATOM 32 C LIG 1 -2.459 -0.056 -1.103 0.00 0.00 +0.056 C BRANCH 32 33 ATOM 33 C LIG 1 -2.178 -1.076 -2.220 0.00 0.00 +0.062 C ATOM 34 C LIG 1 -3.098 -2.290 -2.053 0.00 0.00 +0.041 C ATOM 35 C LIG 1 -2.351 -0.477 -3.617 0.00 0.00 +0.041 C BRANCH 33 36 ATOM 36 O LIG 1 -0.825 -1.521 -2.087 0.00 0.00 -0.389 OA ATOM 37 H LIG 1 -0.678 -2.229 -2.739 0.00 0.00 +0.210 HD ENDBRANCH 33 36 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 9 31 TORSDOF 8