REMARK Name = BDB001534 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.763 -0.422 2.191 0.00 0.00 +0.164 A ATOM 2 C LIG 1 -0.158 -0.889 3.345 0.00 0.00 +0.181 A ATOM 3 F LIG 1 -0.859 -1.146 4.458 0.00 0.00 -0.200 F ATOM 4 C LIG 1 1.199 -1.062 3.307 0.00 0.00 +0.156 A ATOM 5 N LIG 1 1.945 -0.801 2.217 0.00 0.00 -0.220 NA ATOM 6 C LIG 1 1.300 -0.354 1.129 0.00 0.00 +0.221 A ATOM 7 N LIG 1 -0.031 -0.163 1.087 0.00 0.00 -0.196 NA ENDROOT BRANCH 1 8 ATOM 8 N LIG 1 -2.173 -0.265 2.197 0.00 0.00 -0.297 N ATOM 9 H LIG 1 -2.482 0.089 3.097 0.00 0.00 +0.154 HD BRANCH 8 14 ATOM 10 C LIG 1 -5.920 1.012 -1.962 0.00 0.00 +0.044 C ATOM 11 C LIG 1 -4.943 0.655 -0.883 0.00 0.00 -0.050 A ATOM 12 C LIG 1 -5.237 0.912 0.458 0.00 0.00 +0.005 A ATOM 13 C LIG 1 -4.308 0.605 1.459 0.00 0.00 +0.023 A ATOM 14 C LIG 1 -3.052 0.064 1.147 0.00 0.00 +0.032 A ATOM 15 C LIG 1 -2.775 -0.201 -0.198 0.00 0.00 +0.023 A ATOM 16 C LIG 1 -3.700 0.103 -1.203 0.00 0.00 +0.005 A ENDBRANCH 8 14 ENDBRANCH 1 8 BRANCH 6 17 ATOM 17 N LIG 1 1.967 -0.045 -0.052 0.00 0.00 -0.284 N ATOM 18 H LIG 1 1.295 0.291 -0.727 0.00 0.00 +0.155 HD BRANCH 17 19 ATOM 19 C LIG 1 3.304 -0.087 -0.459 0.00 0.00 +0.034 A ATOM 20 C LIG 1 3.621 0.337 -1.762 0.00 0.00 +0.027 A ATOM 21 C LIG 1 4.937 0.321 -2.233 0.00 0.00 +0.047 A ATOM 22 C LIG 1 5.955 -0.123 -1.405 0.00 0.00 +0.117 A ATOM 23 C LIG 1 5.676 -0.549 -0.113 0.00 0.00 +0.047 A ATOM 24 C LIG 1 4.355 -0.530 0.352 0.00 0.00 +0.027 A BRANCH 22 25 ATOM 25 O LIG 1 7.225 -0.125 -1.898 0.00 0.00 -0.507 OA ATOM 26 H LIG 1 7.822 -0.459 -1.209 0.00 0.00 +0.292 HD ENDBRANCH 22 25 ENDBRANCH 17 19 ENDBRANCH 6 17 TORSDOF 5