REMARK Name = BDB010736 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 3.991 -2.732 0.471 0.00 0.00 -0.266 OA ATOM 2 C LIG 1 2.899 -2.183 0.376 0.00 0.00 +0.273 A ATOM 3 C LIG 1 2.792 -0.738 0.133 0.00 0.00 +0.052 A ATOM 4 C LIG 1 1.528 -0.178 0.034 0.00 0.00 +0.038 A ATOM 5 C LIG 1 1.357 1.191 -0.192 0.00 0.00 +0.049 A ATOM 6 N LIG 1 0.067 1.721 -0.277 0.00 0.00 -0.358 N ATOM 7 H LIG 1 -0.052 2.711 -0.454 0.00 0.00 +0.166 HD ATOM 8 C LIG 1 -1.057 0.929 -0.157 0.00 0.00 +0.022 A ATOM 9 C LIG 1 -2.389 1.642 -0.262 0.00 0.00 +0.053 C ATOM 10 C LIG 1 -3.574 0.815 0.239 0.00 0.00 +0.006 C ATOM 11 C LIG 1 -3.499 -0.613 -0.284 0.00 0.00 +0.005 C ATOM 12 C LIG 1 -2.205 -1.293 0.164 0.00 0.00 +0.039 C ATOM 13 C LIG 1 -0.997 -0.404 0.052 0.00 0.00 -0.001 A ATOM 14 C LIG 1 2.491 1.998 -0.319 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.771 1.439 -0.222 0.00 0.00 +0.003 A ATOM 16 C LIG 1 0.352 -1.054 0.173 0.00 0.00 +0.099 A ATOM 17 N LIG 1 0.458 -2.333 0.392 0.00 0.00 -0.171 NA ATOM 18 C LIG 1 3.925 0.070 0.004 0.00 0.00 +0.014 A ATOM 19 N LIG 1 1.711 -2.868 0.489 0.00 0.00 -0.242 N ATOM 20 H LIG 1 1.763 -3.867 0.657 0.00 0.00 +0.192 HD ENDROOT TORSDOF 0