REMARK Name = BDB008627 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.470 -0.375 -1.494 0.00 0.00 +0.132 A ATOM 2 C LIG 1 1.416 -1.646 -2.091 0.00 0.00 +0.062 A ATOM 3 C LIG 1 0.170 -2.206 -2.332 0.00 0.00 +0.139 A ATOM 4 O LIG 1 0.304 -3.437 -2.900 0.00 0.00 -0.463 OA ATOM 5 C LIG 1 1.636 -3.668 -3.030 0.00 0.00 +0.196 A ATOM 6 C LIG 1 -1.041 -1.587 -2.028 0.00 0.00 +0.052 A ATOM 7 C LIG 1 -0.988 -0.303 -1.447 0.00 0.00 -0.020 A ATOM 8 C LIG 1 2.361 -2.603 -2.549 0.00 0.00 +0.053 A ATOM 9 C LIG 1 0.265 0.291 -1.205 0.00 0.00 +0.052 A ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 -2.308 0.404 -1.119 0.00 0.00 +0.104 C ATOM 11 C LIG 1 -2.848 1.072 -2.392 0.00 0.00 +0.033 C BRANCH 10 12 ATOM 12 N LIG 1 -2.221 1.290 0.071 0.00 0.00 -0.291 N ATOM 13 C LIG 1 -1.894 0.789 1.344 0.00 0.00 +0.221 C ATOM 14 O LIG 1 -1.349 1.494 2.197 0.00 0.00 -0.275 OA BRANCH 13 15 ATOM 15 C LIG 1 -2.301 -0.649 1.660 0.00 0.00 +0.090 C ATOM 16 C LIG 1 -1.746 -1.161 2.996 0.00 0.00 +0.093 C ATOM 17 N LIG 1 -2.897 -1.584 3.815 0.00 0.00 -0.315 NA ATOM 18 H LIG 1 -3.166 -0.793 4.403 0.00 0.00 +0.122 HD ATOM 19 C LIG 1 -3.978 -1.851 2.868 0.00 0.00 +0.081 C ATOM 20 C LIG 1 -3.814 -0.776 1.815 0.00 0.00 +0.029 C ENDBRANCH 13 15 BRANCH 12 21 ATOM 21 C LIG 1 -2.097 2.724 -0.153 0.00 0.00 +0.077 C ATOM 22 C LIG 1 -3.304 3.564 -0.499 0.00 0.00 +0.024 C ATOM 23 C LIG 1 -2.638 3.741 0.825 0.00 0.00 +0.024 C ENDBRANCH 12 21 ENDBRANCH 10 12 ENDBRANCH 7 10 BRANCH 1 24 ATOM 24 O LIG 1 2.694 0.200 -1.257 0.00 0.00 -0.491 OA BRANCH 24 25 ATOM 25 C LIG 1 2.843 0.649 0.095 0.00 0.00 +0.231 C BRANCH 25 26 ATOM 26 C LIG 1 4.330 0.763 0.408 0.00 0.00 +0.069 C BRANCH 26 27 ATOM 27 C LIG 1 5.032 -0.591 0.333 0.00 0.00 +0.163 C BRANCH 27 29 ATOM 28 C LIG 1 7.278 -0.018 -0.199 0.00 0.00 +0.193 C ATOM 29 O LIG 1 6.380 -0.496 0.795 0.00 0.00 -0.383 OA ENDBRANCH 27 29 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 1 24 TORSDOF 9