REMARK Name = BDB018152 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.843 0.764 -1.641 0.00 0.00 +0.047 C ATOM 2 C LIG 1 0.730 -0.266 -1.534 0.00 0.00 +0.120 C ATOM 3 C LIG 1 -0.666 0.342 -1.579 0.00 0.00 +0.198 C ATOM 4 C LIG 1 -1.524 -0.824 -1.073 0.00 0.00 +0.252 C ATOM 5 O LIG 1 -0.703 -1.602 -0.175 0.00 0.00 -0.347 OA ATOM 6 C LIG 1 0.671 -1.126 -0.261 0.00 0.00 +0.159 C ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 -2.726 -0.375 -0.372 0.00 0.00 -0.303 N ATOM 8 C LIG 1 -3.713 0.387 -0.956 0.00 0.00 +0.148 A ATOM 9 C LIG 1 -4.707 0.603 -0.012 0.00 0.00 +0.058 A ATOM 10 C LIG 1 -5.812 1.362 -0.421 0.00 0.00 +0.129 A ATOM 11 N LIG 1 -5.845 1.836 -1.681 0.00 0.00 -0.220 NA ATOM 12 C LIG 1 -4.815 1.550 -2.498 0.00 0.00 +0.225 A ATOM 13 C LIG 1 -4.295 -0.055 1.179 0.00 0.00 +0.033 A ATOM 14 N LIG 1 -3.699 0.846 -2.222 0.00 0.00 -0.218 NA ATOM 15 C LIG 1 -3.075 -0.645 0.931 0.00 0.00 +0.091 A BRANCH 10 16 ATOM 16 N LIG 1 -6.881 1.673 0.406 0.00 0.00 -0.343 N ATOM 17 H LIG 1 -7.425 2.439 0.027 0.00 0.00 +0.144 HD ATOM 18 H LIG 1 -6.668 1.710 1.393 0.00 0.00 +0.144 HD ENDBRANCH 10 16 ENDBRANCH 4 7 BRANCH 3 19 ATOM 19 O LIG 1 -0.979 0.763 -2.911 0.00 0.00 -0.384 OA ATOM 20 H LIG 1 -1.944 0.950 -2.918 0.00 0.00 +0.210 HD ENDBRANCH 3 19 BRANCH 2 21 ATOM 21 O LIG 1 0.867 -1.142 -2.675 0.00 0.00 -0.384 OA ATOM 22 H LIG 1 0.513 -0.633 -3.434 0.00 0.00 +0.210 HD ENDBRANCH 2 21 BRANCH 6 23 ATOM 23 C LIG 1 0.969 -0.425 1.079 0.00 0.00 +0.070 C BRANCH 23 24 ATOM 24 C LIG 1 2.428 -0.204 1.404 0.00 0.00 -0.041 A ATOM 25 C LIG 1 3.344 -1.268 1.376 0.00 0.00 +0.053 A ATOM 26 C LIG 1 4.660 -1.007 1.701 0.00 0.00 +0.166 A ATOM 27 O LIG 1 5.669 -1.919 1.716 0.00 0.00 -0.453 OA ATOM 28 C LIG 1 6.778 -1.089 2.118 0.00 0.00 +0.466 C ATOM 29 O LIG 1 6.413 0.289 2.342 0.00 0.00 -0.453 OA ATOM 30 C LIG 1 5.084 0.249 2.059 0.00 0.00 +0.166 A ATOM 31 C LIG 1 4.215 1.315 2.119 0.00 0.00 +0.050 A ATOM 32 C LIG 1 2.874 1.081 1.795 0.00 0.00 +0.007 A ENDBRANCH 23 24 ENDBRANCH 6 23 TORSDOF 6