REMARK Name = BDB019767 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.381 1.730 -0.313 0.00 0.00 -0.017 A ATOM 2 C LIG 1 0.791 1.042 -0.669 0.00 0.00 +0.021 A ATOM 3 C LIG 1 0.885 -0.347 -0.511 0.00 0.00 +0.038 A ATOM 4 C LIG 1 -0.210 -1.063 -0.012 0.00 0.00 +0.018 A ATOM 5 C LIG 1 -1.385 -0.400 0.363 0.00 0.00 -0.029 A ATOM 6 C LIG 1 -1.460 0.992 0.203 0.00 0.00 +0.013 A ENDROOT BRANCH 1 12 ATOM 7 C LIG 1 -2.593 5.741 -2.330 0.00 0.00 +0.065 C ATOM 8 C LIG 1 -1.541 5.129 -1.456 0.00 0.00 +0.039 A ATOM 9 N LIG 1 -0.680 5.970 -0.838 0.00 0.00 -0.260 NA ATOM 10 C LIG 1 0.267 5.418 -0.051 0.00 0.00 +0.111 A ATOM 11 C LIG 1 0.406 4.055 0.148 0.00 0.00 +0.028 A ATOM 12 C LIG 1 -0.483 3.186 -0.491 0.00 0.00 -0.015 A ATOM 13 C LIG 1 -1.474 3.746 -1.307 0.00 0.00 +0.031 A ENDBRANCH 1 12 BRANCH 3 14 ATOM 14 C LIG 1 2.110 -1.107 -0.887 0.00 0.00 +0.244 C ATOM 15 N LIG 1 3.302 -0.414 -0.843 0.00 0.00 -0.307 N ATOM 16 H LIG 1 3.333 0.484 -0.386 0.00 0.00 +0.149 HD ATOM 17 O LIG 1 2.032 -2.295 -1.178 0.00 0.00 -0.270 OA BRANCH 15 18 ATOM 18 C LIG 1 4.566 -1.082 -1.064 0.00 0.00 +0.140 C BRANCH 18 19 ATOM 19 C LIG 1 5.217 -1.439 0.249 0.00 0.00 -0.029 A ATOM 20 C LIG 1 4.798 -2.577 0.957 0.00 0.00 +0.026 A ATOM 21 C LIG 1 5.374 -2.905 2.189 0.00 0.00 +0.060 A ATOM 22 CL LIG 1 4.799 -4.321 2.996 0.00 0.00 -0.082 Cl ATOM 23 C LIG 1 6.377 -2.091 2.726 0.00 0.00 +0.059 A ATOM 24 CL LIG 1 7.135 -2.428 4.241 0.00 0.00 -0.082 Cl ATOM 25 C LIG 1 6.795 -0.954 2.029 0.00 0.00 +0.022 A ATOM 26 C LIG 1 6.216 -0.627 0.800 0.00 0.00 +0.007 A ENDBRANCH 18 19 ENDBRANCH 15 18 ENDBRANCH 3 14 BRANCH 5 27 ATOM 27 C LIG 1 -2.570 -1.178 0.883 0.00 0.00 +0.139 C BRANCH 27 28 ATOM 28 N LIG 1 -3.375 -1.628 -0.233 0.00 0.00 -0.313 N ATOM 29 H LIG 1 -3.481 -0.915 -0.949 0.00 0.00 +0.149 HD BRANCH 28 30 ATOM 30 C LIG 1 -4.551 -2.262 -0.051 0.00 0.00 +0.176 C ATOM 31 N LIG 1 -4.615 -3.214 0.915 0.00 0.00 -0.316 N ATOM 32 H LIG 1 -3.789 -3.799 0.947 0.00 0.00 +0.149 HD ATOM 33 C LIG 1 -5.857 -3.932 0.710 0.00 0.00 +0.127 C ATOM 34 C LIG 1 -6.625 -2.965 -0.197 0.00 0.00 +0.163 C ATOM 35 N LIG 1 -5.612 -2.036 -0.770 0.00 0.00 -0.255 NA ENDBRANCH 28 30 ENDBRANCH 27 28 ENDBRANCH 5 27 TORSDOF 7