REMARK Name = BDB046915 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.505 -0.670 -0.915 0.00 0.00 +0.142 C ENDROOT BRANCH 1 6 ATOM 2 O LIG 1 -6.914 1.160 1.245 0.00 0.00 -0.267 OA ATOM 3 C LIG 1 -5.924 1.165 0.523 0.00 0.00 +0.259 A ATOM 4 C LIG 1 -4.848 0.170 0.663 0.00 0.00 +0.068 A ATOM 5 C LIG 1 -3.764 0.258 -0.214 0.00 0.00 +0.100 A ATOM 6 C LIG 1 -2.752 -0.694 -0.045 0.00 0.00 +0.081 A ATOM 7 N LIG 1 -2.810 -1.681 0.902 0.00 0.00 -0.256 NA ATOM 8 C LIG 1 -3.886 -1.718 1.716 0.00 0.00 +0.112 A ATOM 9 N LIG 1 -3.702 1.244 -1.223 0.00 0.00 -0.235 NA ATOM 10 C LIG 1 -4.665 2.095 -1.295 0.00 0.00 +0.199 A ATOM 11 C LIG 1 -4.926 -0.818 1.642 0.00 0.00 +0.035 A ATOM 12 N LIG 1 -5.749 2.094 -0.468 0.00 0.00 -0.313 N ATOM 13 H LIG 1 -6.481 2.782 -0.573 0.00 0.00 +0.170 HD ENDBRANCH 1 6 BRANCH 1 14 ATOM 14 N LIG 1 -0.472 0.293 -0.475 0.00 0.00 -0.294 NA ATOM 15 C LIG 1 0.199 -0.118 0.777 0.00 0.00 +0.103 C ATOM 16 C LIG 1 1.535 -0.880 0.606 0.00 0.00 +0.120 C ATOM 17 N LIG 1 2.493 -0.106 -0.203 0.00 0.00 -0.327 N ATOM 18 C LIG 1 1.919 0.927 -1.079 0.00 0.00 +0.120 C ATOM 19 C LIG 1 0.513 0.500 -1.560 0.00 0.00 +0.103 C BRANCH 17 20 ATOM 20 C LIG 1 3.859 -0.233 -0.013 0.00 0.00 +0.030 A ATOM 21 C LIG 1 4.422 -1.395 0.541 0.00 0.00 +0.023 A ATOM 22 C LIG 1 5.802 -1.536 0.733 0.00 0.00 +0.002 A ATOM 23 C LIG 1 6.664 -0.510 0.369 0.00 0.00 +0.000 A ATOM 24 C LIG 1 6.143 0.652 -0.185 0.00 0.00 +0.002 A ATOM 25 C LIG 1 4.761 0.782 -0.374 0.00 0.00 +0.023 A ENDBRANCH 17 20 ENDBRANCH 1 14 TORSDOF 3