REMARK Name = BDB030160 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.318 -2.741 1.501 0.00 0.00 +0.262 C ATOM 2 N LIG 1 0.175 -3.325 2.014 0.00 0.00 -0.228 N ATOM 3 H LIG 1 0.140 -4.331 1.857 0.00 0.00 +0.171 HD ATOM 4 O LIG 1 2.269 -3.437 1.156 0.00 0.00 -0.269 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 2.130 0.645 0.048 0.00 0.00 +0.004 A ATOM 6 C LIG 1 2.006 -0.742 0.221 0.00 0.00 +0.026 A ATOM 7 C LIG 1 1.400 -1.274 1.370 0.00 0.00 +0.075 A ATOM 8 C LIG 1 0.950 -0.420 2.372 0.00 0.00 +0.154 A ATOM 9 F LIG 1 0.432 -0.909 3.511 0.00 0.00 -0.203 F ATOM 10 C LIG 1 1.070 0.959 2.209 0.00 0.00 +0.077 A ATOM 11 CL LIG 1 0.492 2.030 3.427 0.00 0.00 -0.081 Cl ATOM 12 C LIG 1 1.649 1.493 1.054 0.00 0.00 +0.033 A BRANCH 5 16 ATOM 13 C LIG 1 3.926 3.579 -3.536 0.00 0.00 +0.150 C ATOM 14 N LIG 1 3.549 2.446 -2.732 0.00 0.00 -0.339 N ATOM 15 C LIG 1 2.869 2.478 -1.543 0.00 0.00 +0.115 A ATOM 16 C LIG 1 2.755 1.159 -1.159 0.00 0.00 +0.089 A ATOM 17 N LIG 1 3.330 0.343 -2.105 0.00 0.00 -0.236 NA ATOM 18 C LIG 1 3.805 1.143 -3.032 0.00 0.00 +0.199 A ENDBRANCH 5 16 ENDBRANCH 1 7 BRANCH 2 19 ATOM 19 N LIG 1 -1.174 -2.596 1.964 0.00 0.00 -0.108 NA ATOM 20 H LIG 1 -1.735 -2.821 2.793 0.00 0.00 +0.172 HD BRANCH 19 21 ATOM 21 S LIG 1 -2.113 -2.919 0.563 0.00 0.00 +0.076 S ATOM 22 O LIG 1 -1.268 -2.854 -0.607 0.00 0.00 -0.152 OA ATOM 23 O LIG 1 -2.871 -4.109 0.883 0.00 0.00 -0.152 OA BRANCH 21 24 ATOM 24 C LIG 1 -3.213 -1.554 0.536 0.00 0.00 +0.145 A ATOM 25 C LIG 1 -2.700 -0.278 0.370 0.00 0.00 +0.191 A ATOM 26 F LIG 1 -1.391 -0.058 0.195 0.00 0.00 -0.200 F ATOM 27 C LIG 1 -3.560 0.815 0.377 0.00 0.00 +0.154 A ATOM 28 C LIG 1 -4.930 0.642 0.528 0.00 0.00 +0.048 A ATOM 29 C LIG 1 -5.449 -0.646 0.675 0.00 0.00 +0.006 A ATOM 30 C LIG 1 -4.592 -1.749 0.680 0.00 0.00 +0.032 A BRANCH 27 31 ATOM 31 O LIG 1 -3.080 2.084 0.228 0.00 0.00 -0.504 OA ATOM 32 H LIG 1 -2.116 2.021 0.097 0.00 0.00 +0.292 HD ENDBRANCH 27 31 ENDBRANCH 21 24 ENDBRANCH 19 21 ENDBRANCH 2 19 TORSDOF 6