REMARK Name = BDB001532 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.108 -2.049 -0.257 0.00 0.00 +0.164 A ATOM 2 C LIG 1 1.274 -3.420 -0.348 0.00 0.00 +0.181 A ATOM 3 F LIG 1 2.453 -3.973 -0.667 0.00 0.00 -0.200 F ATOM 4 C LIG 1 0.170 -4.195 -0.111 0.00 0.00 +0.156 A ATOM 5 N LIG 1 -1.038 -3.684 0.197 0.00 0.00 -0.220 NA ATOM 6 C LIG 1 -1.134 -2.344 0.262 0.00 0.00 +0.221 A ATOM 7 N LIG 1 -0.094 -1.522 0.050 0.00 0.00 -0.196 NA ENDROOT BRANCH 1 8 ATOM 8 N LIG 1 2.245 -1.224 -0.463 0.00 0.00 -0.297 N ATOM 9 H LIG 1 2.793 -1.584 -1.235 0.00 0.00 +0.154 HD BRANCH 8 12 ATOM 10 C LIG 1 4.218 0.256 -2.048 0.00 0.00 +0.045 C ATOM 11 C LIG 1 3.348 0.903 -1.004 0.00 0.00 -0.029 A ATOM 12 C LIG 1 2.388 0.169 -0.268 0.00 0.00 +0.035 A ATOM 13 C LIG 1 1.649 0.847 0.714 0.00 0.00 +0.023 A ATOM 14 C LIG 1 1.808 2.217 0.936 0.00 0.00 +0.002 A ATOM 15 C LIG 1 2.730 2.937 0.189 0.00 0.00 +0.000 A ATOM 16 C LIG 1 3.499 2.284 -0.772 0.00 0.00 +0.005 A ENDBRANCH 8 12 ENDBRANCH 1 8 BRANCH 6 17 ATOM 17 N LIG 1 -2.396 -1.861 0.590 0.00 0.00 -0.284 N ATOM 18 H LIG 1 -3.022 -2.639 0.735 0.00 0.00 +0.155 HD BRANCH 17 19 ATOM 19 C LIG 1 -2.963 -0.582 0.622 0.00 0.00 +0.034 A ATOM 20 C LIG 1 -2.300 0.576 0.196 0.00 0.00 +0.027 A ATOM 21 C LIG 1 -2.904 1.836 0.286 0.00 0.00 +0.047 A ATOM 22 C LIG 1 -4.182 1.947 0.815 0.00 0.00 +0.117 A ATOM 23 C LIG 1 -4.861 0.821 1.256 0.00 0.00 +0.047 A ATOM 24 C LIG 1 -4.251 -0.433 1.163 0.00 0.00 +0.027 A BRANCH 22 25 ATOM 25 O LIG 1 -4.808 3.153 0.921 0.00 0.00 -0.507 OA ATOM 26 H LIG 1 -4.213 3.837 0.572 0.00 0.00 +0.292 HD ENDBRANCH 22 25 ENDBRANCH 17 19 ENDBRANCH 6 17 TORSDOF 5