REMARK Name = BDB003018 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -1.298 -3.566 -1.548 0.00 0.00 -0.284 OA ATOM 2 C LIG 1 -1.470 -2.430 -1.133 0.00 0.00 +0.228 C ATOM 3 C LIG 1 -2.860 -1.846 -0.980 0.00 0.00 +0.233 C ATOM 4 O LIG 1 -3.836 -2.438 -1.417 0.00 0.00 -0.283 OA ATOM 5 C LIG 1 -2.984 -0.552 -0.286 0.00 0.00 +0.034 A ATOM 6 C LIG 1 -1.831 0.147 0.104 0.00 0.00 +0.007 A ATOM 7 C LIG 1 -2.020 1.349 0.816 0.00 0.00 +0.010 A ATOM 8 C LIG 1 -3.300 1.842 1.093 0.00 0.00 +0.001 A ATOM 9 C LIG 1 -4.426 1.142 0.671 0.00 0.00 +0.001 A ATOM 10 C LIG 1 -0.462 -0.364 -0.206 0.00 0.00 +0.043 C ATOM 11 C LIG 1 -4.270 -0.058 -0.015 0.00 0.00 +0.012 A ATOM 12 C LIG 1 -0.329 -1.572 -0.777 0.00 0.00 +0.078 C ENDROOT BRANCH 10 13 ATOM 13 N LIG 1 0.590 0.493 0.086 0.00 0.00 -0.311 N ATOM 14 H LIG 1 0.457 1.438 -0.285 0.00 0.00 +0.152 HD BRANCH 13 15 ATOM 15 C LIG 1 1.974 0.214 0.160 0.00 0.00 +0.073 A ATOM 16 C LIG 1 2.883 1.182 -0.301 0.00 0.00 +0.138 A ATOM 17 C LIG 1 4.261 0.977 -0.246 0.00 0.00 +0.047 A ATOM 18 C LIG 1 4.751 -0.212 0.291 0.00 0.00 +0.004 A ATOM 19 C LIG 1 3.867 -1.177 0.775 0.00 0.00 +0.002 A ATOM 20 C LIG 1 2.487 -0.962 0.715 0.00 0.00 +0.027 A BRANCH 16 21 ATOM 21 O LIG 1 2.370 2.346 -0.818 0.00 0.00 -0.505 OA ATOM 22 H LIG 1 3.114 2.902 -1.107 0.00 0.00 +0.292 HD ENDBRANCH 16 21 ENDBRANCH 13 15 ENDBRANCH 10 13 TORSDOF 3