REMARK Name = BDB001156 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.871 -1.749 0.626 0.00 0.00 +0.237 C ATOM 2 N LIG 1 -0.988 -2.746 0.259 0.00 0.00 -0.295 N ATOM 3 C LIG 1 0.443 -2.553 0.041 0.00 0.00 +0.099 C ATOM 4 C LIG 1 0.974 -3.972 -0.211 0.00 0.00 +0.013 C ATOM 5 C LIG 1 1.981 -3.824 -1.338 0.00 0.00 +0.007 C ATOM 6 C LIG 1 1.387 -2.746 -2.227 0.00 0.00 +0.024 C ATOM 7 C LIG 1 -0.263 -4.820 -0.559 0.00 0.00 +0.024 C ATOM 8 C LIG 1 0.750 -1.734 -1.259 0.00 0.00 +0.094 C ATOM 9 C LIG 1 -1.447 -3.865 -0.535 0.00 0.00 +0.108 C ATOM 10 O LIG 1 -3.023 -1.708 0.184 0.00 0.00 -0.274 OA ENDROOT BRANCH 8 11 ATOM 11 N LIG 1 1.605 -0.576 -0.996 0.00 0.00 -0.307 N ATOM 12 H LIG 1 1.414 -0.080 -0.122 0.00 0.00 +0.149 HD ATOM 13 C LIG 1 1.909 0.297 -2.029 0.00 0.00 +0.244 C ATOM 14 O LIG 1 1.625 0.095 -3.204 0.00 0.00 -0.270 OA BRANCH 13 15 ATOM 15 C LIG 1 2.564 1.581 -1.643 0.00 0.00 +0.039 A ATOM 16 C LIG 1 2.334 2.690 -2.488 0.00 0.00 +0.046 A ATOM 17 C LIG 1 2.947 3.882 -2.068 0.00 0.00 +0.135 A ATOM 18 C LIG 1 3.769 3.961 -0.868 0.00 0.00 +0.134 A ATOM 19 N LIG 1 4.204 5.219 -0.739 0.00 0.00 -0.049 NA ATOM 20 O LIG 1 3.676 5.913 -1.815 0.00 0.00 -0.242 OA ATOM 21 C LIG 1 4.008 2.845 -0.045 0.00 0.00 +0.034 A ATOM 22 N LIG 1 2.905 5.097 -2.627 0.00 0.00 -0.049 NA ATOM 23 C LIG 1 3.381 1.657 -0.474 0.00 0.00 +0.015 A ENDBRANCH 13 15 ENDBRANCH 8 11 BRANCH 1 24 ATOM 24 C LIG 1 -1.391 -0.710 1.670 0.00 0.00 +0.164 C BRANCH 24 26 ATOM 25 C LIG 1 -0.872 1.463 0.616 0.00 0.00 +0.230 C ATOM 26 N LIG 1 -1.797 0.598 1.160 0.00 0.00 -0.302 N ATOM 27 H LIG 1 -2.764 0.678 0.863 0.00 0.00 +0.150 HD ATOM 28 O LIG 1 0.340 1.244 0.666 0.00 0.00 -0.274 OA BRANCH 25 29 ATOM 29 C LIG 1 -1.477 2.689 -0.106 0.00 0.00 +0.137 C ATOM 30 C LIG 1 -1.758 2.285 -1.553 0.00 0.00 +0.034 C BRANCH 29 32 ATOM 31 C LIG 1 -0.929 5.014 -0.677 0.00 0.00 +0.101 C ATOM 32 N LIG 1 -0.543 3.818 0.050 0.00 0.00 -0.309 NA ATOM 33 H LIG 1 0.391 3.519 -0.233 0.00 0.00 +0.122 HD ENDBRANCH 29 32 ENDBRANCH 25 29 ENDBRANCH 24 26 BRANCH 24 34 ATOM 34 C LIG 1 -1.935 -0.990 3.106 0.00 0.00 -0.011 C ATOM 35 C LIG 1 -3.472 -0.930 3.190 0.00 0.00 +0.013 C ATOM 36 C LIG 1 -1.470 -2.379 3.587 0.00 0.00 +0.013 C ATOM 37 C LIG 1 -1.358 0.063 4.079 0.00 0.00 +0.013 C ENDBRANCH 24 34 ENDBRANCH 1 24 TORSDOF 7