REMARK Name = BDB045383 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.201 -2.693 -0.848 0.00 0.00 +0.050 C ATOM 2 C LIG 1 -3.169 -2.303 0.301 0.00 0.00 +0.140 C ATOM 3 C LIG 1 -3.090 -3.299 1.487 0.00 0.00 +0.113 C ATOM 4 N LIG 1 -3.208 -4.708 1.095 0.00 0.00 -0.313 NA ATOM 5 H LIG 1 -3.094 -5.301 1.916 0.00 0.00 +0.122 HD ATOM 6 C LIG 1 -2.203 -5.062 0.096 0.00 0.00 +0.081 C ATOM 7 C LIG 1 -2.346 -4.200 -1.155 0.00 0.00 +0.026 C ENDROOT BRANCH 1 11 ATOM 8 C LIG 1 1.997 -1.518 -0.590 0.00 0.00 +0.121 A ATOM 9 C LIG 1 1.455 -2.035 -1.764 0.00 0.00 +0.046 A ATOM 10 C LIG 1 0.107 -2.403 -1.824 0.00 0.00 +0.007 A ATOM 11 C LIG 1 -0.736 -2.274 -0.707 0.00 0.00 -0.042 A ATOM 12 C LIG 1 -0.181 -1.734 0.460 0.00 0.00 +0.007 A ATOM 13 C LIG 1 1.172 -1.365 0.520 0.00 0.00 +0.046 A BRANCH 8 14 ATOM 14 O LIG 1 3.324 -1.198 -0.662 0.00 0.00 -0.492 OA BRANCH 14 15 ATOM 15 C LIG 1 3.933 -0.701 0.532 0.00 0.00 +0.229 C BRANCH 15 16 ATOM 16 C LIG 1 5.404 -0.426 0.215 0.00 0.00 +0.049 C BRANCH 16 17 ATOM 17 C LIG 1 6.209 -0.015 1.441 0.00 0.00 +0.083 C BRANCH 17 19 ATOM 18 O LIG 1 4.845 1.320 2.870 0.00 0.00 -0.292 OA ATOM 19 C LIG 1 5.738 1.303 2.022 0.00 0.00 +0.163 C BRANCH 19 20 ATOM 20 C LIG 1 6.341 2.589 1.557 0.00 0.00 +0.017 A ATOM 21 C LIG 1 7.208 2.667 0.461 0.00 0.00 +0.011 A ATOM 22 C LIG 1 7.739 3.900 0.071 0.00 0.00 +0.001 A ATOM 23 C LIG 1 7.408 5.060 0.770 0.00 0.00 +0.000 A ATOM 24 C LIG 1 6.542 4.992 1.859 0.00 0.00 +0.001 A ATOM 25 C LIG 1 6.009 3.762 2.251 0.00 0.00 +0.011 A ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 8 14 ENDBRANCH 1 11 BRANCH 2 26 ATOM 26 O LIG 1 -4.500 -2.287 -0.263 0.00 0.00 -0.370 OA BRANCH 26 27 ATOM 27 C LIG 1 -5.432 -1.468 0.441 0.00 0.00 +0.195 C BRANCH 27 28 ATOM 28 C LIG 1 -5.260 -0.005 0.108 0.00 0.00 -0.021 A ATOM 29 C LIG 1 -5.026 0.407 -1.213 0.00 0.00 +0.014 A ATOM 30 C LIG 1 -4.878 1.765 -1.540 0.00 0.00 -0.018 A ATOM 31 C LIG 1 -4.981 2.736 -0.519 0.00 0.00 -0.018 A ATOM 32 C LIG 1 -4.833 4.094 -0.845 0.00 0.00 +0.008 A ATOM 33 C LIG 1 -4.588 4.489 -2.162 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -4.487 3.532 -3.167 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -5.229 2.322 0.799 0.00 0.00 +0.009 A ATOM 36 C LIG 1 -4.631 2.178 -2.858 0.00 0.00 +0.008 A ATOM 37 C LIG 1 -5.371 0.967 1.108 0.00 0.00 +0.006 A ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 2 26 TORSDOF 10