REMARK Name = BDB009756 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.694 0.347 0.344 0.00 0.00 -0.286 N ATOM 2 C LIG 1 -0.354 -0.672 0.095 0.00 0.00 +0.114 C ATOM 3 C LIG 1 -1.642 -0.106 -0.563 0.00 0.00 +0.045 C ATOM 4 C LIG 1 -2.029 1.196 0.128 0.00 0.00 +0.026 C ATOM 5 C LIG 1 -0.916 2.254 0.057 0.00 0.00 +0.055 C ATOM 6 C LIG 1 -1.042 3.136 1.324 0.00 0.00 +0.021 C ATOM 7 C LIG 1 0.507 1.687 0.067 0.00 0.00 +0.223 C ATOM 8 O LIG 1 1.441 2.472 -0.130 0.00 0.00 -0.275 OA ENDROOT BRANCH 2 9 ATOM 9 C LIG 1 0.179 -1.834 -0.746 0.00 0.00 -0.026 A ATOM 10 C LIG 1 0.199 -3.135 -0.215 0.00 0.00 +0.007 A ATOM 11 C LIG 1 0.668 -4.206 -0.979 0.00 0.00 +0.020 A ATOM 12 C LIG 1 1.118 -3.988 -2.279 0.00 0.00 +0.041 A ATOM 13 CL LIG 1 1.698 -5.309 -3.215 0.00 0.00 -0.084 Cl ATOM 14 C LIG 1 1.101 -2.707 -2.824 0.00 0.00 +0.020 A ATOM 15 C LIG 1 0.632 -1.635 -2.062 0.00 0.00 +0.007 A ENDBRANCH 2 9 BRANCH 3 16 ATOM 16 C LIG 1 -2.803 -1.096 -0.549 0.00 0.00 -0.041 A ATOM 17 C LIG 1 -3.319 -1.568 -1.769 0.00 0.00 +0.024 A ATOM 18 C LIG 1 -4.368 -2.488 -1.784 0.00 0.00 +0.041 A ATOM 19 CL LIG 1 -4.981 -3.060 -3.287 0.00 0.00 -0.084 Cl ATOM 20 C LIG 1 -4.922 -2.948 -0.593 0.00 0.00 +0.020 A ATOM 21 C LIG 1 -4.423 -2.485 0.623 0.00 0.00 +0.002 A ATOM 22 C LIG 1 -3.371 -1.566 0.646 0.00 0.00 +0.004 A ENDBRANCH 3 16 BRANCH 1 23 ATOM 23 C LIG 1 1.958 -0.097 0.987 0.00 0.00 +0.108 C BRANCH 23 24 ATOM 24 C LIG 1 2.246 0.699 2.255 0.00 0.00 -0.009 A ATOM 25 C LIG 1 1.445 0.499 3.381 0.00 0.00 +0.116 A ATOM 26 N LIG 1 1.583 1.153 4.557 0.00 0.00 -0.263 NA ATOM 27 C LIG 1 2.575 2.064 4.624 0.00 0.00 +0.111 A ATOM 28 C LIG 1 3.427 2.347 3.572 0.00 0.00 +0.020 A ATOM 29 C LIG 1 3.257 1.655 2.374 0.00 0.00 +0.008 A ENDBRANCH 23 24 BRANCH 23 31 ATOM 30 C LIG 1 3.482 0.638 -1.044 0.00 0.00 +0.006 C ATOM 31 C LIG 1 3.162 -0.370 0.047 0.00 0.00 +0.024 C ENDBRANCH 23 31 ENDBRANCH 1 23 BRANCH 5 32 ATOM 32 C LIG 1 -1.062 3.190 -1.167 0.00 0.00 +0.136 C BRANCH 32 33 ATOM 33 C LIG 1 -0.637 2.572 -2.475 0.00 0.00 +0.306 C ATOM 34 O LIG 1 -1.418 2.062 -3.264 0.00 0.00 -0.251 OA BRANCH 33 35 ATOM 35 O LIG 1 0.695 2.597 -2.693 0.00 0.00 -0.481 OA ATOM 36 H LIG 1 1.223 2.938 -1.930 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 5 32 TORSDOF 8