REMARK Name = BDB055678 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.647 -1.383 2.554 0.00 0.00 +0.120 C ATOM 2 C LIG 1 -1.251 -1.233 1.186 0.00 0.00 -0.021 A ATOM 3 C LIG 1 -2.381 -0.406 1.250 0.00 0.00 -0.042 A ATOM 4 C LIG 1 -3.110 -0.102 0.114 0.00 0.00 +0.012 A ATOM 5 C LIG 1 -2.675 -0.606 -1.122 0.00 0.00 -0.017 A ATOM 6 C LIG 1 -1.558 -1.470 -1.170 0.00 0.00 +0.009 A ATOM 7 C LIG 1 -2.644 0.051 2.651 0.00 0.00 +0.038 C ATOM 8 C LIG 1 -0.850 -1.800 -0.014 0.00 0.00 +0.006 A ATOM 9 C LIG 1 -1.292 -0.215 3.328 0.00 0.00 +0.034 C ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 1.583 -2.332 3.265 0.00 0.00 +0.111 A ATOM 11 N LIG 1 0.807 -1.388 2.593 0.00 0.00 -0.316 N ATOM 12 C LIG 1 1.682 -0.476 2.036 0.00 0.00 +0.135 A ATOM 13 C LIG 1 2.918 -0.936 2.412 0.00 0.00 +0.096 A ATOM 14 C LIG 1 4.090 -0.252 2.030 0.00 0.00 +0.048 A ATOM 15 C LIG 1 3.974 0.866 1.294 0.00 0.00 +0.091 A ATOM 16 N LIG 1 2.725 1.359 0.893 0.00 0.00 -0.309 N ATOM 17 C LIG 1 1.506 0.717 1.232 0.00 0.00 +0.277 A ATOM 18 O LIG 1 0.411 1.140 0.867 0.00 0.00 -0.265 OA ATOM 19 N LIG 1 2.872 -2.061 3.154 0.00 0.00 -0.232 NA BRANCH 10 21 ATOM 20 C LIG 1 0.791 -4.692 3.108 0.00 0.00 +0.012 C ATOM 21 C LIG 1 1.047 -3.505 4.024 0.00 0.00 +0.071 C ENDBRANCH 10 21 BRANCH 16 22 ATOM 22 C LIG 1 2.678 2.579 0.080 0.00 0.00 +0.160 C BRANCH 22 23 ATOM 23 C LIG 1 3.193 2.363 -1.325 0.00 0.00 -0.025 A ATOM 24 C LIG 1 2.563 1.462 -2.190 0.00 0.00 +0.025 A ATOM 25 C LIG 1 3.075 1.295 -3.469 0.00 0.00 +0.111 A ATOM 26 N LIG 1 4.161 1.949 -3.936 0.00 0.00 -0.263 NA ATOM 27 C LIG 1 4.747 2.825 -3.092 0.00 0.00 +0.111 A ATOM 28 C LIG 1 4.307 3.065 -1.798 0.00 0.00 +0.025 A ENDBRANCH 22 23 ENDBRANCH 16 22 ENDBRANCH 1 11 BRANCH 5 29 ATOM 29 C LIG 1 -3.366 -0.227 -2.358 0.00 0.00 -0.007 A ATOM 30 C LIG 1 -3.097 0.964 -3.076 0.00 0.00 +0.028 A ATOM 31 C LIG 1 -3.839 1.204 -4.254 0.00 0.00 +0.012 A ATOM 32 C LIG 1 -4.812 0.314 -4.714 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -5.068 -0.851 -4.007 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -4.351 -1.117 -2.842 0.00 0.00 +0.009 A BRANCH 30 35 ATOM 35 C LIG 1 -2.098 1.988 -2.710 0.00 0.00 +0.180 A ATOM 36 N LIG 1 -1.292 2.043 -1.597 0.00 0.00 -0.239 N ATOM 37 H LIG 1 -1.188 1.411 -0.809 0.00 0.00 +0.192 HD ATOM 38 N LIG 1 -0.543 3.157 -1.618 0.00 0.00 -0.046 NA ATOM 39 N LIG 1 -0.865 3.772 -2.742 0.00 0.00 -0.023 NA ATOM 40 N LIG 1 -1.823 3.071 -3.421 0.00 0.00 -0.108 NA ENDBRANCH 30 35 ENDBRANCH 5 29 TORSDOF 6