REMARK Name = BDB007315 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.766 -1.629 -0.355 0.00 0.00 -0.032 A ATOM 2 C LIG 1 0.557 -1.623 -0.823 0.00 0.00 +0.051 A ATOM 3 C LIG 1 1.538 -2.369 -0.172 0.00 0.00 +0.132 A ATOM 4 C LIG 1 1.198 -3.232 0.865 0.00 0.00 +0.046 A ATOM 5 C LIG 1 -0.123 -3.296 1.303 0.00 0.00 +0.004 A ATOM 6 C LIG 1 -1.095 -2.482 0.715 0.00 0.00 +0.005 A ENDROOT BRANCH 1 10 ATOM 7 O LIG 1 0.111 1.247 0.193 0.00 0.00 -0.292 OA ATOM 8 C LIG 1 -1.049 1.349 0.594 0.00 0.00 +0.162 C ATOM 9 C LIG 1 -2.132 0.461 0.071 0.00 0.00 +0.024 C ATOM 10 C LIG 1 -1.743 -0.616 -0.936 0.00 0.00 +0.089 C ATOM 11 C LIG 1 -2.934 -1.399 -1.400 0.00 0.00 +0.024 A ATOM 12 C LIG 1 -4.235 -1.162 -0.899 0.00 0.00 +0.148 A ATOM 13 N LIG 1 -4.427 -0.201 0.025 0.00 0.00 -0.301 N ATOM 14 H LIG 1 -5.371 -0.029 0.354 0.00 0.00 +0.153 HD ATOM 15 N LIG 1 -5.146 -1.960 -1.445 0.00 0.00 -0.158 NA ATOM 16 N LIG 1 -4.432 -2.707 -2.309 0.00 0.00 -0.283 N ATOM 17 H LIG 1 -4.921 -3.408 -2.856 0.00 0.00 +0.188 HD ATOM 18 C LIG 1 -3.100 -2.400 -2.332 0.00 0.00 +0.111 A ATOM 19 C LIG 1 -3.409 0.621 0.497 0.00 0.00 +0.017 C ATOM 20 C LIG 1 -3.817 1.698 1.474 0.00 0.00 +0.051 C ATOM 21 C LIG 1 -2.820 2.850 1.519 0.00 0.00 +0.014 C ATOM 22 C LIG 1 -1.401 2.336 1.685 0.00 0.00 +0.080 C ENDBRANCH 1 10 BRANCH 3 23 ATOM 23 O LIG 1 2.860 -2.272 -0.525 0.00 0.00 -0.425 OA BRANCH 23 24 ATOM 24 C LIG 1 3.503 -1.102 -0.474 0.00 0.00 +0.302 A ATOM 25 N LIG 1 2.981 0.093 -0.033 0.00 0.00 -0.308 N ATOM 26 H LIG 1 2.030 0.257 0.275 0.00 0.00 +0.170 HD ATOM 27 C LIG 1 3.962 1.046 -0.134 0.00 0.00 +0.069 A ATOM 28 C LIG 1 5.061 0.355 -0.629 0.00 0.00 +0.093 A ATOM 29 C LIG 1 6.261 1.048 -0.851 0.00 0.00 +0.030 A ATOM 30 C LIG 1 6.307 2.419 -0.566 0.00 0.00 +0.002 A ATOM 31 C LIG 1 5.183 3.086 -0.072 0.00 0.00 +0.002 A ATOM 32 C LIG 1 3.978 2.412 0.156 0.00 0.00 +0.028 A ATOM 33 N LIG 1 4.762 -0.970 -0.832 0.00 0.00 -0.195 NA ENDBRANCH 23 24 ENDBRANCH 3 23 TORSDOF 3