REMARK Name = BDB063381 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.698 -0.926 -0.813 0.00 0.00 +0.104 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 -1.832 -1.222 0.044 0.00 0.00 -0.340 N ATOM 3 H LIG 1 -1.559 -1.594 0.965 0.00 0.00 +0.146 HD BRANCH 2 13 ATOM 4 O LIG 1 -6.116 -0.261 1.971 0.00 0.00 -0.286 OA ATOM 5 C LIG 1 -5.342 -0.169 1.024 0.00 0.00 +0.208 C ATOM 6 C LIG 1 -5.760 0.557 -0.174 0.00 0.00 +0.052 A ATOM 7 C LIG 1 -4.889 0.742 -1.227 0.00 0.00 +0.123 A ATOM 8 N LIG 1 -5.234 1.419 -2.358 0.00 0.00 -0.251 NA ATOM 9 C LIG 1 -6.486 1.918 -2.432 0.00 0.00 +0.111 A ATOM 10 C LIG 1 -7.422 1.779 -1.423 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -3.502 0.216 -1.172 0.00 0.00 +0.227 C ATOM 12 O LIG 1 -2.713 0.479 -2.076 0.00 0.00 -0.284 OA ATOM 13 C LIG 1 -3.098 -0.627 0.022 0.00 0.00 +0.099 C ATOM 14 C LIG 1 -7.051 1.087 -0.274 0.00 0.00 +0.015 A ATOM 15 C LIG 1 -3.986 -0.769 1.025 0.00 0.00 +0.113 C ATOM 16 CL LIG 1 -3.587 -1.702 2.439 0.00 0.00 -0.078 Cl ENDBRANCH 2 13 ENDBRANCH 1 2 BRANCH 1 17 ATOM 17 C LIG 1 0.542 -1.718 -0.372 0.00 0.00 +0.053 C BRANCH 17 18 ATOM 18 C LIG 1 1.060 -1.423 1.059 0.00 0.00 +0.070 C ATOM 19 C LIG 1 2.304 -2.271 1.375 0.00 0.00 +0.054 C ATOM 20 C LIG 1 3.538 -1.810 0.608 0.00 0.00 +0.110 C ATOM 21 N LIG 1 3.773 -0.371 0.733 0.00 0.00 -0.301 N ATOM 22 C LIG 1 5.090 0.062 0.554 0.00 0.00 +0.225 C ATOM 23 O LIG 1 6.051 -0.698 0.507 0.00 0.00 -0.275 OA ATOM 24 C LIG 1 2.620 0.506 0.518 0.00 0.00 +0.110 C ATOM 25 C LIG 1 1.401 0.052 1.310 0.00 0.00 +0.054 C BRANCH 22 26 ATOM 26 C LIG 1 5.332 1.517 0.456 0.00 0.00 +0.150 C ATOM 27 C LIG 1 5.097 2.209 -0.834 0.00 0.00 +0.261 C ATOM 28 F LIG 1 4.621 1.528 -1.929 0.00 0.00 -0.205 F ATOM 29 F LIG 1 4.511 3.454 -0.842 0.00 0.00 -0.205 F ATOM 30 C LIG 1 6.492 2.039 -0.385 0.00 0.00 +0.095 C ENDBRANCH 22 26 BRANCH 18 31 ATOM 31 O LIG 1 0.021 -1.806 1.977 0.00 0.00 -0.388 OA ATOM 32 H LIG 1 0.367 -1.720 2.884 0.00 0.00 +0.210 HD ENDBRANCH 18 31 ENDBRANCH 17 18 ENDBRANCH 1 17 TORSDOF 6