REMARK Name = BDB001762 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.516 -0.875 0.806 0.00 0.00 -0.308 NA ATOM 2 H LIG 1 0.392 -1.105 -0.178 0.00 0.00 +0.123 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -0.773 -0.974 1.492 0.00 0.00 +0.117 C BRANCH 3 6 ATOM 4 C LIG 1 -2.201 -2.109 -0.931 0.00 0.00 +0.044 C ATOM 5 C LIG 1 -2.559 -0.770 -0.344 0.00 0.00 -0.046 A ATOM 6 C LIG 1 -1.902 -0.245 0.791 0.00 0.00 -0.031 A ATOM 7 C LIG 1 -2.298 1.012 1.286 0.00 0.00 +0.005 A ATOM 8 C LIG 1 -3.314 1.742 0.669 0.00 0.00 +0.000 A ATOM 9 C LIG 1 -3.950 1.228 -0.454 0.00 0.00 +0.000 A ATOM 10 C LIG 1 -3.575 -0.017 -0.957 0.00 0.00 +0.003 A ENDBRANCH 3 6 ENDBRANCH 1 3 BRANCH 1 11 ATOM 11 C LIG 1 1.111 0.456 0.904 0.00 0.00 +0.118 C BRANCH 11 12 ATOM 12 C LIG 1 2.471 0.490 0.258 0.00 0.00 -0.015 A ATOM 13 C LIG 1 2.752 1.371 -0.782 0.00 0.00 +0.115 A ATOM 14 N LIG 1 3.954 1.468 -1.396 0.00 0.00 -0.263 NA ATOM 15 C LIG 1 4.928 0.644 -0.953 0.00 0.00 +0.111 A ATOM 16 C LIG 1 4.757 -0.267 0.075 0.00 0.00 +0.020 A ATOM 17 C LIG 1 3.510 -0.341 0.689 0.00 0.00 +0.008 A ENDBRANCH 11 12 ENDBRANCH 1 11 TORSDOF 4