REMARK Name = BDB000140 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.268 -1.550 -0.983 0.00 0.00 +0.223 C ATOM 2 N LIG 1 4.405 -0.477 -1.015 0.00 0.00 -0.291 N ATOM 3 C LIG 1 2.981 -0.681 -0.652 0.00 0.00 +0.148 C ATOM 4 C LIG 1 2.433 0.657 -0.886 0.00 0.00 +0.034 A ATOM 5 C LIG 1 3.420 1.554 -1.286 0.00 0.00 +0.087 A ATOM 6 N LIG 1 2.976 2.782 -1.521 0.00 0.00 -0.175 NA ATOM 7 N LIG 1 1.647 2.654 -1.250 0.00 0.00 -0.263 N ATOM 8 H LIG 1 1.028 3.455 -1.349 0.00 0.00 +0.190 HD ATOM 9 C LIG 1 1.274 1.378 -0.860 0.00 0.00 +0.126 A ATOM 10 C LIG 1 4.752 0.931 -1.365 0.00 0.00 +0.165 C ATOM 11 O LIG 1 4.866 -2.667 -0.647 0.00 0.00 -0.275 OA ENDROOT BRANCH 9 12 ATOM 12 N LIG 1 -0.014 1.005 -0.535 0.00 0.00 -0.266 N ATOM 13 H LIG 1 -0.182 0.036 -0.299 0.00 0.00 +0.157 HD ATOM 14 C LIG 1 -1.067 1.903 -0.609 0.00 0.00 +0.249 C ATOM 15 O LIG 1 -0.966 3.067 -0.992 0.00 0.00 -0.270 OA BRANCH 14 16 ATOM 16 C LIG 1 -2.400 1.371 -0.218 0.00 0.00 +0.037 A ATOM 17 C LIG 1 -3.536 1.900 -0.830 0.00 0.00 +0.015 A ATOM 18 C LIG 1 -4.809 1.422 -0.490 0.00 0.00 +0.024 A ATOM 19 C LIG 1 -4.996 0.417 0.473 0.00 0.00 +0.030 A ATOM 20 C LIG 1 -3.835 -0.085 1.085 0.00 0.00 +0.024 A ATOM 21 C LIG 1 -2.554 0.383 0.755 0.00 0.00 +0.015 A BRANCH 19 22 ATOM 22 N LIG 1 -6.256 -0.053 0.800 0.00 0.00 -0.327 N ATOM 23 C LIG 1 -6.457 -1.333 1.499 0.00 0.00 +0.120 C ATOM 24 C LIG 1 -7.865 -1.898 1.203 0.00 0.00 +0.103 C ATOM 25 N LIG 1 -8.972 -1.019 1.636 0.00 0.00 -0.302 NA ATOM 26 C LIG 1 -10.180 -1.296 0.864 0.00 0.00 +0.105 C ATOM 27 C LIG 1 -8.587 0.406 1.564 0.00 0.00 +0.103 C ATOM 28 C LIG 1 -7.466 0.752 0.555 0.00 0.00 +0.120 C ENDBRANCH 19 22 ENDBRANCH 14 16 ENDBRANCH 9 12 BRANCH 1 30 ATOM 29 C LIG 1 7.442 -2.632 -1.682 0.00 0.00 +0.022 C ATOM 30 C LIG 1 6.733 -1.307 -1.384 0.00 0.00 +0.102 C BRANCH 30 31 ATOM 31 C LIG 1 7.516 -0.536 -0.332 0.00 0.00 -0.036 A ATOM 32 C LIG 1 8.356 0.519 -0.721 0.00 0.00 +0.004 A ATOM 33 C LIG 1 9.084 1.235 0.232 0.00 0.00 +0.000 A ATOM 34 C LIG 1 8.988 0.899 1.580 0.00 0.00 +0.000 A ATOM 35 C LIG 1 8.169 -0.155 1.978 0.00 0.00 +0.000 A ATOM 36 C LIG 1 7.440 -0.872 1.028 0.00 0.00 +0.004 A ENDBRANCH 30 31 ENDBRANCH 1 30 TORSDOF 5