REMARK Name = BDB009745 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.482 -2.199 -1.274 0.00 0.00 +0.048 C ATOM 2 C LIG 1 -0.562 -1.224 -2.015 0.00 0.00 +0.223 C ATOM 3 O LIG 1 -0.231 -1.441 -3.182 0.00 0.00 -0.275 OA ATOM 4 N LIG 1 -0.059 -0.136 -1.275 0.00 0.00 -0.287 N ATOM 5 C LIG 1 -0.966 0.557 -0.310 0.00 0.00 +0.114 C ATOM 6 C LIG 1 -2.044 -0.348 0.369 0.00 0.00 +0.045 C ATOM 7 C LIG 1 -2.600 -1.378 -0.615 0.00 0.00 +0.026 C ATOM 8 C LIG 1 -2.151 -3.165 -2.277 0.00 0.00 +0.021 C ENDROOT BRANCH 5 9 ATOM 9 C LIG 1 -0.232 1.328 0.787 0.00 0.00 -0.026 A ATOM 10 C LIG 1 0.607 0.673 1.705 0.00 0.00 +0.007 A ATOM 11 C LIG 1 1.245 1.383 2.724 0.00 0.00 +0.020 A ATOM 12 C LIG 1 1.038 2.754 2.845 0.00 0.00 +0.041 A ATOM 13 CL LIG 1 1.823 3.631 4.099 0.00 0.00 -0.084 Cl ATOM 14 C LIG 1 0.198 3.420 1.956 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -0.436 2.711 0.934 0.00 0.00 +0.007 A ENDBRANCH 5 9 BRANCH 6 16 ATOM 16 C LIG 1 -3.178 0.462 1.001 0.00 0.00 -0.041 A ATOM 17 C LIG 1 -3.316 0.485 2.399 0.00 0.00 +0.024 A ATOM 18 C LIG 1 -4.329 1.235 2.998 0.00 0.00 +0.041 A ATOM 19 CL LIG 1 -4.476 1.253 4.713 0.00 0.00 -0.084 Cl ATOM 20 C LIG 1 -5.219 1.970 2.220 0.00 0.00 +0.020 A ATOM 21 C LIG 1 -5.093 1.957 0.833 0.00 0.00 +0.002 A ATOM 22 C LIG 1 -4.080 1.210 0.227 0.00 0.00 +0.004 A ENDBRANCH 6 16 BRANCH 1 23 ATOM 23 C LIG 1 -0.653 -2.999 -0.229 0.00 0.00 +0.042 C BRANCH 23 25 ATOM 24 C LIG 1 0.375 -5.267 -0.586 0.00 0.00 +0.004 C ATOM 25 C LIG 1 0.367 -3.947 -0.806 0.00 0.00 -0.033 C ENDBRANCH 23 25 ENDBRANCH 1 23 BRANCH 4 26 ATOM 26 C LIG 1 1.009 0.647 -1.990 0.00 0.00 +0.114 C BRANCH 26 27 ATOM 27 C LIG 1 0.440 1.893 -2.699 0.00 0.00 +0.022 C ATOM 28 C LIG 1 1.399 2.515 -3.705 0.00 0.00 +0.006 C ENDBRANCH 26 27 BRANCH 26 29 ATOM 29 C LIG 1 2.271 0.939 -1.146 0.00 0.00 +0.251 C BRANCH 29 30 ATOM 30 O LIG 1 2.726 -0.286 -0.560 0.00 0.00 -0.489 OA BRANCH 30 31 ATOM 31 C LIG 1 3.788 -0.212 0.292 0.00 0.00 +0.139 A ATOM 32 C LIG 1 4.503 0.923 0.649 0.00 0.00 +0.156 A ATOM 33 N LIG 1 5.546 0.924 1.516 0.00 0.00 -0.260 NA ATOM 34 C LIG 1 5.892 -0.267 2.050 0.00 0.00 +0.111 A ATOM 35 C LIG 1 5.245 -1.455 1.758 0.00 0.00 +0.023 A ATOM 36 C LIG 1 4.178 -1.421 0.865 0.00 0.00 +0.048 A ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 4 26 TORSDOF 9