REMARK Name = LIG001807 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.430 -0.643 -2.748 0.00 0.00 +0.234 C ATOM 2 N LIG 1 1.716 -0.170 -2.956 0.00 0.00 -0.268 N ATOM 3 C LIG 1 2.552 0.685 -2.218 0.00 0.00 +0.058 A ATOM 4 C LIG 1 3.790 0.810 -2.845 0.00 0.00 +0.070 A ATOM 5 N LIG 1 4.819 1.562 -2.404 0.00 0.00 -0.257 NA ATOM 6 C LIG 1 4.588 2.243 -1.262 0.00 0.00 +0.115 A ATOM 7 C LIG 1 3.388 2.197 -0.547 0.00 0.00 -0.023 A ATOM 8 C LIG 1 3.872 -0.042 -4.093 0.00 0.00 +0.025 C ATOM 9 C LIG 1 4.282 0.781 -5.315 0.00 0.00 +0.019 C ATOM 10 C LIG 1 4.838 -1.211 -3.876 0.00 0.00 +0.019 C ATOM 11 C LIG 1 2.345 1.397 -1.051 0.00 0.00 +0.030 A ATOM 12 C LIG 1 2.413 -0.532 -4.203 0.00 0.00 +0.126 C ATOM 13 O LIG 1 -0.127 -1.303 -3.635 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 14 ATOM 14 C LIG 1 -0.254 -0.347 -1.403 0.00 0.00 +0.181 C BRANCH 14 21 ATOM 15 C LIG 1 -3.958 -2.411 -2.808 0.00 0.00 +0.025 C ATOM 16 C LIG 1 -3.977 -1.152 -1.931 0.00 0.00 +0.065 C ATOM 17 N LIG 1 -4.377 -1.464 -0.542 0.00 0.00 -0.311 NA ATOM 18 H LIG 1 -5.167 -2.108 -0.560 0.00 0.00 +0.122 HD ATOM 19 C LIG 1 -3.265 -2.093 0.191 0.00 0.00 +0.101 C ATOM 20 C LIG 1 -1.941 -1.280 0.168 0.00 0.00 +0.085 C ATOM 21 N LIG 1 -1.542 -1.056 -1.253 0.00 0.00 -0.287 NA ATOM 22 C LIG 1 -2.626 -0.390 -2.005 0.00 0.00 +0.103 C BRANCH 20 23 ATOM 23 C LIG 1 -1.999 0.015 1.048 0.00 0.00 +0.105 C BRANCH 23 24 ATOM 24 N LIG 1 -2.227 -0.090 2.495 0.00 0.00 -0.294 NA ATOM 25 C LIG 1 -3.634 0.009 2.923 0.00 0.00 +0.079 C ATOM 26 C LIG 1 -3.848 1.424 3.470 0.00 0.00 +0.026 C ATOM 27 C LIG 1 -4.019 -1.046 3.989 0.00 0.00 +0.178 C ATOM 28 O LIG 1 -3.114 -1.105 5.095 0.00 0.00 -0.377 OA ATOM 29 C LIG 1 -1.734 -1.044 4.709 0.00 0.00 +0.175 C ATOM 30 C LIG 1 -1.486 -1.141 3.193 0.00 0.00 +0.113 C ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 14 21 ENDBRANCH 1 14 BRANCH 7 31 ATOM 31 C LIG 1 3.214 3.028 0.701 0.00 0.00 +0.071 C BRANCH 31 32 ATOM 32 C LIG 1 2.727 2.249 1.904 0.00 0.00 -0.043 A ATOM 33 C LIG 1 1.438 2.467 2.418 0.00 0.00 +0.007 A ATOM 34 C LIG 1 0.988 1.739 3.519 0.00 0.00 +0.038 A ATOM 35 C LIG 1 1.822 0.796 4.107 0.00 0.00 +0.123 A ATOM 36 F LIG 1 1.382 0.087 5.154 0.00 0.00 -0.205 F ATOM 37 C LIG 1 3.101 0.567 3.615 0.00 0.00 +0.038 A ATOM 38 C LIG 1 3.555 1.293 2.514 0.00 0.00 +0.007 A ENDBRANCH 31 32 ENDBRANCH 7 31 TORSDOF 6