REMARK Name = BDB019782 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.090 0.936 0.223 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -0.162 -0.336 -0.360 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -1.269 -0.715 -1.138 0.00 0.00 -0.013 A ATOM 4 C LIG 1 -2.302 0.221 -1.327 0.00 0.00 +0.013 A ATOM 5 C LIG 1 -2.245 1.502 -0.754 0.00 0.00 -0.029 A ATOM 6 C LIG 1 -1.139 1.843 0.037 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -1.346 -2.061 -1.740 0.00 0.00 +0.025 A ATOM 8 C LIG 1 -1.343 -3.241 -0.958 0.00 0.00 +0.128 A ATOM 9 C LIG 1 -1.405 -4.493 -1.584 0.00 0.00 +0.047 A ATOM 10 C LIG 1 -1.470 -4.587 -2.976 0.00 0.00 +0.023 A ATOM 11 C LIG 1 -1.474 -3.432 -3.748 0.00 0.00 +0.042 A ATOM 12 CL LIG 1 -1.547 -3.551 -5.461 0.00 0.00 -0.084 Cl ATOM 13 C LIG 1 -1.413 -2.180 -3.142 0.00 0.00 +0.032 A BRANCH 8 14 ATOM 14 O LIG 1 -1.290 -3.064 0.401 0.00 0.00 -0.495 OA ATOM 15 C LIG 1 -1.285 -4.221 1.224 0.00 0.00 +0.277 C ENDBRANCH 8 14 ENDBRANCH 3 7 BRANCH 1 18 ATOM 16 N LIG 1 2.264 0.741 0.794 0.00 0.00 -0.306 N ATOM 17 H LIG 1 2.406 0.216 -0.062 0.00 0.00 +0.149 HD ATOM 18 C LIG 1 1.064 1.348 1.068 0.00 0.00 +0.244 C ATOM 19 O LIG 1 0.929 2.204 1.935 0.00 0.00 -0.270 OA BRANCH 16 20 ATOM 20 C LIG 1 3.474 1.110 1.495 0.00 0.00 +0.160 C BRANCH 20 23 ATOM 21 C LIG 1 6.803 -0.704 1.520 0.00 0.00 +0.123 A ATOM 22 C LIG 1 5.739 0.103 1.918 0.00 0.00 +0.070 A ATOM 23 C LIG 1 4.638 0.237 1.079 0.00 0.00 +0.062 A ATOM 24 N LIG 1 4.571 -0.369 -0.139 0.00 0.00 -0.258 NA ATOM 25 C LIG 1 5.623 -1.132 -0.503 0.00 0.00 +0.114 A ATOM 26 C LIG 1 6.747 -1.334 0.283 0.00 0.00 +0.065 A BRANCH 21 28 ATOM 27 C LIG 1 8.885 -1.690 2.110 0.00 0.00 +0.277 C ATOM 28 O LIG 1 7.827 -0.792 2.423 0.00 0.00 -0.495 OA ENDBRANCH 21 28 ENDBRANCH 20 23 ENDBRANCH 16 20 ENDBRANCH 1 18 BRANCH 5 29 ATOM 29 C LIG 1 -3.373 2.484 -0.946 0.00 0.00 +0.139 C BRANCH 29 30 ATOM 30 N LIG 1 -4.238 2.462 0.217 0.00 0.00 -0.313 N ATOM 31 H LIG 1 -4.491 1.514 0.480 0.00 0.00 +0.149 HD BRANCH 30 32 ATOM 32 C LIG 1 -5.325 3.257 0.295 0.00 0.00 +0.176 C ATOM 33 N LIG 1 -5.167 4.569 -0.024 0.00 0.00 -0.316 N ATOM 34 H LIG 1 -4.287 4.950 0.304 0.00 0.00 +0.149 HD ATOM 35 C LIG 1 -6.349 5.252 0.463 0.00 0.00 +0.127 C ATOM 36 C LIG 1 -7.332 4.088 0.599 0.00 0.00 +0.163 C ATOM 37 N LIG 1 -6.497 2.856 0.694 0.00 0.00 -0.255 NA ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 5 29 TORSDOF 9