REMARK Name = BDB004196 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.091 0.296 0.263 0.00 0.00 +0.111 C ENDROOT BRANCH 1 4 ATOM 2 N LIG 1 2.378 -0.434 0.253 0.00 0.00 -0.285 N ATOM 3 H LIG 1 1.931 -1.290 0.555 0.00 0.00 +0.155 HD ATOM 4 C LIG 1 1.548 0.650 0.010 0.00 0.00 +0.218 C ATOM 5 O LIG 1 1.895 1.764 -0.363 0.00 0.00 -0.275 OA BRANCH 2 10 ATOM 6 C LIG 1 8.074 -0.909 -0.162 0.00 0.00 +0.044 C ATOM 7 C LIG 1 6.583 -0.775 -0.086 0.00 0.00 -0.050 A ATOM 8 C LIG 1 5.791 -1.848 0.331 0.00 0.00 +0.005 A ATOM 9 C LIG 1 4.403 -1.707 0.431 0.00 0.00 +0.023 A ATOM 10 C LIG 1 3.782 -0.490 0.126 0.00 0.00 +0.033 A ATOM 11 C LIG 1 4.575 0.585 -0.275 0.00 0.00 +0.023 A ATOM 12 C LIG 1 5.964 0.445 -0.375 0.00 0.00 +0.005 A ENDBRANCH 2 10 ENDBRANCH 1 4 BRANCH 1 13 ATOM 13 C LIG 1 -0.834 1.492 0.011 0.00 0.00 +0.094 C BRANCH 13 14 ATOM 14 N LIG 1 -2.273 1.270 0.224 0.00 0.00 -0.297 NA ATOM 15 C LIG 1 -2.869 0.365 -0.769 0.00 0.00 +0.119 C ATOM 16 C LIG 1 -4.343 0.097 -0.535 0.00 0.00 -0.030 A ATOM 17 C LIG 1 -4.933 0.340 0.718 0.00 0.00 -0.042 A ATOM 18 C LIG 1 -6.291 0.055 0.917 0.00 0.00 +0.004 A ATOM 19 C LIG 1 -7.053 -0.493 -0.114 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -6.468 -0.754 -1.351 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -4.122 0.972 1.822 0.00 0.00 +0.051 C ATOM 22 C LIG 1 -5.119 -0.463 -1.561 0.00 0.00 +0.005 A ATOM 23 C LIG 1 -2.611 0.848 1.585 0.00 0.00 +0.089 C ENDBRANCH 13 14 ENDBRANCH 1 13 TORSDOF 4