REMARK Name = BDB009430 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.559 -1.026 0.668 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -0.608 -2.201 1.411 0.00 0.00 +0.135 A ATOM 3 F LIG 1 0.247 -3.205 1.170 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.537 -2.340 2.436 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -2.434 -1.304 2.707 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.420 -0.126 1.941 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -1.464 0.010 0.921 0.00 0.00 +0.020 A ENDROOT BRANCH 1 9 ATOM 8 O LIG 1 -0.043 -0.909 -1.575 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 0.406 -0.882 -0.432 0.00 0.00 +0.249 C ATOM 10 N LIG 1 1.752 -0.681 -0.134 0.00 0.00 -0.294 N ATOM 11 C LIG 1 2.330 -0.779 1.213 0.00 0.00 +0.127 C ATOM 12 C LIG 1 3.559 0.122 1.392 0.00 0.00 +0.127 C ATOM 13 N LIG 1 4.519 -0.004 0.293 0.00 0.00 -0.294 N ATOM 14 C LIG 1 5.863 0.204 0.587 0.00 0.00 +0.250 C ATOM 15 O LIG 1 6.316 0.282 1.725 0.00 0.00 -0.270 OA ATOM 16 C LIG 1 3.933 0.115 -1.050 0.00 0.00 +0.127 C ATOM 17 C LIG 1 2.711 -0.792 -1.233 0.00 0.00 +0.127 C BRANCH 14 18 ATOM 18 C LIG 1 6.820 0.278 -0.517 0.00 0.00 +0.074 A ATOM 19 C LIG 1 7.140 1.479 -1.128 0.00 0.00 +0.141 A ATOM 20 CL LIG 1 6.424 2.980 -0.695 0.00 0.00 -0.061 Cl ATOM 21 N LIG 1 8.022 1.583 -2.152 0.00 0.00 -0.243 NA ATOM 22 C LIG 1 8.626 0.442 -2.553 0.00 0.00 +0.112 A ATOM 23 C LIG 1 8.383 -0.802 -1.986 0.00 0.00 +0.021 A ATOM 24 C LIG 1 7.463 -0.885 -0.945 0.00 0.00 +0.017 A ENDBRANCH 14 18 ENDBRANCH 1 9 BRANCH 6 25 ATOM 25 C LIG 1 -3.392 0.992 2.252 0.00 0.00 +0.094 C BRANCH 25 26 ATOM 26 C LIG 1 -4.051 1.606 1.024 0.00 0.00 +0.087 A ATOM 27 C LIG 1 -5.076 0.809 0.263 0.00 0.00 +0.059 A ATOM 28 N LIG 1 -5.461 -0.464 0.657 0.00 0.00 -0.342 N ATOM 29 H LIG 1 -5.262 -0.721 1.618 0.00 0.00 +0.146 HD ATOM 30 C LIG 1 -6.622 -1.114 0.066 0.00 0.00 +0.102 C ATOM 31 C LIG 1 -6.662 -0.813 -1.430 0.00 0.00 +0.023 C ATOM 32 C LIG 1 -6.603 0.697 -1.696 0.00 0.00 +0.044 C ATOM 33 C LIG 1 -5.592 1.397 -0.828 0.00 0.00 +0.041 A ATOM 34 C LIG 1 -5.181 2.765 -1.210 0.00 0.00 +0.270 A ATOM 35 O LIG 1 -5.660 3.335 -2.186 0.00 0.00 -0.266 OA ATOM 36 N LIG 1 -4.246 3.359 -0.405 0.00 0.00 -0.243 N ATOM 37 H LIG 1 -3.948 4.296 -0.656 0.00 0.00 +0.192 HD ATOM 38 N LIG 1 -3.672 2.808 0.699 0.00 0.00 -0.174 NA ENDBRANCH 25 26 ENDBRANCH 6 25 TORSDOF 4