REMARK Name = BDB009760 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.834 0.781 0.003 0.00 0.00 -0.286 N ATOM 2 C LIG 1 -0.321 -0.121 0.255 0.00 0.00 +0.114 C ATOM 3 C LIG 1 -1.350 -0.080 -0.925 0.00 0.00 +0.045 C ATOM 4 C LIG 1 -1.646 1.327 -1.479 0.00 0.00 +0.026 C ATOM 5 C LIG 1 -0.797 2.468 -0.893 0.00 0.00 +0.055 C ATOM 6 C LIG 1 -1.409 2.956 0.434 0.00 0.00 +0.021 C ATOM 7 C LIG 1 0.646 1.993 -0.668 0.00 0.00 +0.223 C ATOM 8 O LIG 1 1.595 2.692 -1.026 0.00 0.00 -0.275 OA ENDROOT BRANCH 2 9 ATOM 9 C LIG 1 0.030 -1.587 0.542 0.00 0.00 -0.026 A ATOM 10 C LIG 1 -0.312 -2.158 1.781 0.00 0.00 +0.007 A ATOM 11 C LIG 1 -0.057 -3.506 2.046 0.00 0.00 +0.020 A ATOM 12 C LIG 1 0.532 -4.304 1.069 0.00 0.00 +0.041 A ATOM 13 CL LIG 1 0.855 -5.960 1.400 0.00 0.00 -0.084 Cl ATOM 14 C LIG 1 0.861 -3.767 -0.171 0.00 0.00 +0.020 A ATOM 15 C LIG 1 0.606 -2.419 -0.435 0.00 0.00 +0.007 A ENDBRANCH 2 9 BRANCH 3 16 ATOM 16 C LIG 1 -2.653 -0.820 -0.624 0.00 0.00 -0.041 A ATOM 17 C LIG 1 -3.013 -1.937 -1.397 0.00 0.00 +0.024 A ATOM 18 C LIG 1 -4.190 -2.636 -1.127 0.00 0.00 +0.041 A ATOM 19 CL LIG 1 -4.607 -4.005 -2.082 0.00 0.00 -0.084 Cl ATOM 20 C LIG 1 -5.028 -2.235 -0.091 0.00 0.00 +0.020 A ATOM 21 C LIG 1 -4.686 -1.126 0.681 0.00 0.00 +0.002 A ATOM 22 C LIG 1 -3.508 -0.423 0.417 0.00 0.00 +0.004 A ENDBRANCH 3 16 BRANCH 1 23 ATOM 23 C LIG 1 2.146 0.629 0.702 0.00 0.00 +0.107 C BRANCH 23 24 ATOM 24 C LIG 1 3.052 -0.406 0.045 0.00 0.00 -0.024 A ATOM 25 C LIG 1 3.443 -0.222 -1.290 0.00 0.00 +0.025 A ATOM 26 C LIG 1 4.277 -1.154 -1.887 0.00 0.00 +0.111 A ATOM 27 N LIG 1 4.750 -2.249 -1.257 0.00 0.00 -0.263 NA ATOM 28 C LIG 1 4.381 -2.407 0.031 0.00 0.00 +0.111 A ATOM 29 C LIG 1 3.555 -1.526 0.716 0.00 0.00 +0.025 A ENDBRANCH 23 24 BRANCH 23 31 ATOM 30 C LIG 1 1.362 1.779 2.860 0.00 0.00 +0.006 C ATOM 31 C LIG 1 2.037 0.560 2.245 0.00 0.00 +0.024 C ENDBRANCH 23 31 ENDBRANCH 1 23 BRANCH 5 32 ATOM 32 C LIG 1 -0.805 3.626 -1.934 0.00 0.00 +0.136 C BRANCH 32 33 ATOM 33 C LIG 1 -0.074 4.886 -1.529 0.00 0.00 +0.306 C ATOM 34 O LIG 1 -0.045 5.405 -0.427 0.00 0.00 -0.251 OA BRANCH 33 35 ATOM 35 O LIG 1 0.524 5.481 -2.580 0.00 0.00 -0.481 OA ATOM 36 H LIG 1 0.983 6.251 -2.182 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 5 32 TORSDOF 8