REMARK Name = BDB063385 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.429 -0.339 0.710 0.00 0.00 +0.102 C ATOM 2 C LIG 1 -2.271 -1.020 -0.361 0.00 0.00 +0.227 C ATOM 3 O LIG 1 -1.831 -1.947 -1.038 0.00 0.00 -0.284 OA ATOM 4 C LIG 1 -3.657 -0.554 -0.596 0.00 0.00 +0.123 A ATOM 5 C LIG 1 -4.231 0.392 0.221 0.00 0.00 +0.052 A ATOM 6 C LIG 1 -5.549 0.787 -0.035 0.00 0.00 +0.015 A ATOM 7 C LIG 1 -6.239 0.222 -1.103 0.00 0.00 +0.020 A ATOM 8 C LIG 1 -5.585 -0.720 -1.877 0.00 0.00 +0.111 A ATOM 9 C LIG 1 -3.481 0.963 1.333 0.00 0.00 +0.208 C ATOM 10 O LIG 1 -4.042 1.760 2.078 0.00 0.00 -0.286 OA ATOM 11 N LIG 1 -4.315 -1.117 -1.648 0.00 0.00 -0.251 NA ATOM 12 C LIG 1 -2.057 0.560 1.499 0.00 0.00 +0.113 C ATOM 13 CL LIG 1 -1.273 1.343 2.841 0.00 0.00 -0.078 Cl ENDROOT BRANCH 1 16 ATOM 14 C LIG 1 1.942 -1.041 0.575 0.00 0.00 +0.107 C ATOM 15 C LIG 1 0.675 -1.464 -0.181 0.00 0.00 +0.129 C ATOM 16 N LIG 1 -0.089 -0.754 0.819 0.00 0.00 -0.322 N ATOM 17 C LIG 1 1.050 0.059 1.175 0.00 0.00 +0.129 C BRANCH 14 19 ATOM 18 C LIG 1 4.090 0.206 0.213 0.00 0.00 +0.283 C ATOM 19 N LIG 1 3.057 -0.580 -0.280 0.00 0.00 -0.305 N ATOM 20 H LIG 1 3.147 -0.911 -1.237 0.00 0.00 +0.149 HD ATOM 21 O LIG 1 4.109 0.611 1.374 0.00 0.00 -0.269 OA BRANCH 18 23 ATOM 22 C LIG 1 6.355 1.269 -0.254 0.00 0.00 +0.095 C ATOM 23 C LIG 1 5.169 0.531 -0.836 0.00 0.00 +0.320 C ATOM 24 F LIG 1 4.643 1.282 -1.850 0.00 0.00 -0.196 F ATOM 25 F LIG 1 5.615 -0.613 -1.437 0.00 0.00 -0.196 F ENDBRANCH 18 23 ENDBRANCH 14 19 ENDBRANCH 1 16 TORSDOF 3