REMARK Name = BDB016257 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.482 -1.976 -1.778 0.00 0.00 +0.052 C ATOM 2 C LIG 1 -2.094 -0.720 -1.164 0.00 0.00 +0.179 C ATOM 3 O LIG 1 -1.008 0.040 -0.644 0.00 0.00 -0.486 OA ATOM 4 C LIG 1 -1.320 0.904 0.372 0.00 0.00 +0.150 A ATOM 5 C LIG 1 -2.518 1.631 0.482 0.00 0.00 +0.076 A ATOM 6 C LIG 1 -2.693 2.475 1.594 0.00 0.00 +0.027 A ATOM 7 C LIG 1 -1.704 2.619 2.564 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -0.511 1.918 2.438 0.00 0.00 +0.013 A ATOM 9 N LIG 1 -3.597 1.633 -0.424 0.00 0.00 -0.282 N ATOM 10 H LIG 1 -4.391 2.218 -0.186 0.00 0.00 +0.155 HD ATOM 11 C LIG 1 -3.807 1.009 -1.611 0.00 0.00 +0.221 C ATOM 12 O LIG 1 -4.867 1.230 -2.203 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 -0.304 1.058 1.350 0.00 0.00 +0.032 A ATOM 14 C LIG 1 -2.771 0.118 -2.223 0.00 0.00 +0.140 C ENDROOT BRANCH 13 15 ATOM 15 C LIG 1 0.974 0.335 1.247 0.00 0.00 +0.024 A ATOM 16 S LIG 1 1.438 -0.763 2.473 0.00 0.00 -0.088 S ATOM 17 C LIG 1 2.909 -1.167 1.673 0.00 0.00 +0.020 A ATOM 18 C LIG 1 3.042 -0.471 0.470 0.00 0.00 -0.010 A ATOM 19 C LIG 1 4.202 -0.699 -0.310 0.00 0.00 +0.009 A ATOM 20 C LIG 1 5.181 -1.597 0.123 0.00 0.00 +0.001 A ATOM 21 C LIG 1 5.027 -2.277 1.323 0.00 0.00 +0.001 A ATOM 22 C LIG 1 3.893 -2.074 2.114 0.00 0.00 +0.015 A ATOM 23 C LIG 1 1.917 0.387 0.241 0.00 0.00 +0.024 A ENDBRANCH 13 15 TORSDOF 1