REMARK Name = BDB013842 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.521 0.143 0.367 0.00 0.00 -0.338 N ATOM 2 H LIG 1 0.200 0.708 -0.431 0.00 0.00 +0.146 HD ENDROOT BRANCH 1 4 ATOM 3 C LIG 1 2.742 0.642 -0.579 0.00 0.00 +0.082 A ATOM 4 C LIG 1 1.888 -0.149 0.217 0.00 0.00 +0.060 A ATOM 5 C LIG 1 2.531 -1.140 0.965 0.00 0.00 +0.134 A ATOM 6 N LIG 1 3.857 -1.425 0.930 0.00 0.00 -0.261 NA ATOM 7 C LIG 1 4.622 -0.653 0.139 0.00 0.00 +0.111 A ATOM 8 C LIG 1 4.120 0.384 -0.620 0.00 0.00 +0.036 A BRANCH 3 10 ATOM 9 O LIG 1 3.000 2.628 -1.913 0.00 0.00 -0.245 OA ATOM 10 C LIG 1 2.282 1.771 -1.428 0.00 0.00 +0.339 C BRANCH 10 11 ATOM 11 O LIG 1 0.960 1.756 -1.689 0.00 0.00 -0.477 OA ATOM 12 H LIG 1 0.831 2.537 -2.269 0.00 0.00 +0.295 HD ENDBRANCH 10 11 ENDBRANCH 3 10 ENDBRANCH 1 4 BRANCH 1 13 ATOM 13 C LIG 1 -0.407 -0.953 0.638 0.00 0.00 +0.140 C BRANCH 13 14 ATOM 14 C LIG 1 -1.835 -0.456 0.592 0.00 0.00 +0.011 A ATOM 15 C LIG 1 -2.850 -1.096 -0.132 0.00 0.00 +0.122 A ATOM 16 C LIG 1 -4.144 -0.575 -0.174 0.00 0.00 +0.046 A ATOM 17 C LIG 1 -4.460 0.579 0.539 0.00 0.00 +0.004 A ATOM 18 C LIG 1 -3.478 1.213 1.295 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -2.180 0.699 1.322 0.00 0.00 +0.009 A BRANCH 15 20 ATOM 20 O LIG 1 -2.658 -2.249 -0.839 0.00 0.00 -0.506 OA ATOM 21 H LIG 1 -1.989 -2.792 -0.395 0.00 0.00 +0.292 HD ENDBRANCH 15 20 ENDBRANCH 13 14 ENDBRANCH 1 13 TORSDOF 6