REMARK Name = BDB034745 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.396 -5.041 -0.017 0.00 0.00 +0.154 C ATOM 2 N LIG 1 -1.154 -3.646 -0.245 0.00 0.00 -0.295 N ATOM 3 C LIG 1 0.096 -3.018 -0.175 0.00 0.00 +0.072 A ATOM 4 C LIG 1 -0.095 -1.655 -0.414 0.00 0.00 +0.072 A ATOM 5 C LIG 1 0.949 -0.750 -0.394 0.00 0.00 +0.054 A ATOM 6 C LIG 1 2.233 -1.235 -0.114 0.00 0.00 +0.069 A ATOM 7 C LIG 1 2.399 -2.629 0.118 0.00 0.00 +0.146 A ATOM 8 F LIG 1 3.632 -3.093 0.383 0.00 0.00 -0.203 F ATOM 9 N LIG 1 -1.462 -1.445 -0.641 0.00 0.00 -0.292 N ATOM 10 C LIG 1 1.341 -3.537 0.090 0.00 0.00 +0.068 A ATOM 11 C LIG 1 -2.146 -2.675 -0.508 0.00 0.00 +0.330 A ATOM 12 O LIG 1 -3.350 -2.853 -0.588 0.00 0.00 -0.246 OA ENDROOT BRANCH 6 13 ATOM 13 N LIG 1 3.367 -0.396 -0.024 0.00 0.00 -0.311 N ATOM 14 H LIG 1 4.238 -0.929 -0.073 0.00 0.00 +0.152 HD BRANCH 13 15 ATOM 15 C LIG 1 3.512 0.982 0.255 0.00 0.00 +0.053 A ATOM 16 C LIG 1 4.621 1.704 -0.226 0.00 0.00 +0.110 A ATOM 17 C LIG 1 4.680 3.068 0.035 0.00 0.00 +0.148 A ATOM 18 CL LIG 1 5.978 4.074 -0.489 0.00 0.00 -0.061 Cl ATOM 19 N LIG 1 3.740 3.757 0.720 0.00 0.00 -0.242 NA ATOM 20 C LIG 1 2.685 3.052 1.167 0.00 0.00 +0.114 A ATOM 21 C LIG 1 2.531 1.691 0.961 0.00 0.00 +0.044 A BRANCH 16 22 ATOM 22 C LIG 1 5.657 1.059 -0.968 0.00 0.00 +0.104 C ATOM 23 N LIG 1 6.485 0.492 -1.551 0.00 0.00 -0.191 NA ENDBRANCH 16 22 ENDBRANCH 13 15 ENDBRANCH 6 13 BRANCH 9 24 ATOM 24 C LIG 1 -2.091 -0.158 -0.818 0.00 0.00 +0.130 C BRANCH 24 25 ATOM 25 C LIG 1 -2.419 0.499 0.528 0.00 0.00 +0.056 C BRANCH 25 26 ATOM 26 C LIG 1 -2.833 1.976 0.413 0.00 0.00 +0.062 C ATOM 27 C LIG 1 -4.038 2.180 -0.507 0.00 0.00 +0.041 C ATOM 28 C LIG 1 -3.132 2.538 1.806 0.00 0.00 +0.041 C BRANCH 26 29 ATOM 29 O LIG 1 -1.720 2.702 -0.120 0.00 0.00 -0.389 OA ATOM 30 H LIG 1 -1.991 3.633 -0.215 0.00 0.00 +0.210 HD ENDBRANCH 26 29 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 9 24 TORSDOF 7