REMARK Name = BDB041157 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.120 -0.994 0.563 0.00 0.00 +0.169 A ATOM 2 N LIG 1 -4.424 -2.211 1.061 0.00 0.00 -0.224 NA ATOM 3 C LIG 1 -3.341 -2.904 1.467 0.00 0.00 +0.115 A ATOM 4 C LIG 1 -2.054 -2.404 1.390 0.00 0.00 +0.192 A ATOM 5 O LIG 1 -1.160 -3.318 1.867 0.00 0.00 -0.458 OA ATOM 6 C LIG 1 -1.888 -4.402 2.254 0.00 0.00 +0.198 A ATOM 7 C LIG 1 -1.802 -1.138 0.878 0.00 0.00 +0.166 A ATOM 8 C LIG 1 -3.231 -4.196 2.028 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -2.885 -0.439 0.461 0.00 0.00 -0.209 NA ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 -6.018 -0.492 -0.967 0.00 0.00 +0.229 A ATOM 11 C LIG 1 -5.234 -0.167 0.131 0.00 0.00 +0.102 A ATOM 12 C LIG 1 -5.586 1.011 0.790 0.00 0.00 +0.062 A ATOM 13 N LIG 1 -6.626 1.778 0.364 0.00 0.00 -0.239 NA ATOM 14 C LIG 1 -7.307 1.355 -0.707 0.00 0.00 +0.225 A ATOM 15 N LIG 1 -7.057 0.248 -1.406 0.00 0.00 -0.201 NA BRANCH 12 16 ATOM 16 C LIG 1 -4.831 1.506 2.013 0.00 0.00 +0.039 C ATOM 17 C LIG 1 -4.949 0.765 3.326 0.00 0.00 +0.010 C ATOM 18 C LIG 1 -5.581 2.115 3.177 0.00 0.00 +0.010 C ENDBRANCH 12 16 BRANCH 10 20 ATOM 19 C LIG 1 -6.583 -1.937 -2.736 0.00 0.00 +0.279 C ATOM 20 O LIG 1 -5.682 -1.633 -1.677 0.00 0.00 -0.479 OA ENDBRANCH 10 20 ENDBRANCH 1 11 BRANCH 7 21 ATOM 21 N LIG 1 -0.519 -0.600 0.810 0.00 0.00 -0.322 N ATOM 22 H LIG 1 0.197 -1.319 0.860 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 -0.319 0.397 -0.225 0.00 0.00 +0.138 C BRANCH 23 24 ATOM 24 C LIG 1 1.144 0.774 -0.267 0.00 0.00 -0.030 A ATOM 25 C LIG 1 1.700 1.565 0.748 0.00 0.00 +0.009 A ATOM 26 C LIG 1 3.054 1.904 0.718 0.00 0.00 +0.046 A ATOM 27 C LIG 1 3.873 1.455 -0.318 0.00 0.00 +0.121 A ATOM 28 C LIG 1 3.332 0.663 -1.329 0.00 0.00 +0.046 A ATOM 29 C LIG 1 1.975 0.321 -1.301 0.00 0.00 +0.009 A BRANCH 27 30 ATOM 30 O LIG 1 5.185 1.852 -0.238 0.00 0.00 -0.489 OA BRANCH 30 31 ATOM 31 C LIG 1 6.125 1.397 -1.237 0.00 0.00 +0.178 C ATOM 32 C LIG 1 7.580 1.862 -1.002 0.00 0.00 +0.076 C ATOM 33 C LIG 1 7.856 0.505 -0.321 0.00 0.00 +0.125 C ATOM 34 C LIG 1 6.645 -0.053 -1.098 0.00 0.00 +0.076 C BRANCH 33 35 ATOM 35 O LIG 1 9.121 -0.119 -0.624 0.00 0.00 -0.380 OA ATOM 36 C LIG 1 10.248 0.411 0.061 0.00 0.00 +0.194 C ENDBRANCH 33 35 ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 7 21 TORSDOF 9