REMARK Name = BDB034950 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.941 -1.166 0.968 0.00 0.00 -0.033 A ATOM 2 C LIG 1 1.555 -2.155 1.882 0.00 0.00 +0.005 A ATOM 3 C LIG 1 0.275 -2.713 1.826 0.00 0.00 +0.007 A ATOM 4 C LIG 1 -0.651 -2.284 0.864 0.00 0.00 -0.010 A ATOM 5 C LIG 1 -0.259 -1.304 -0.057 0.00 0.00 +0.007 A ATOM 6 C LIG 1 1.020 -0.746 -0.001 0.00 0.00 +0.005 A ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 3.322 -0.547 1.036 0.00 0.00 +0.119 C BRANCH 7 10 ATOM 8 C LIG 1 6.366 -0.857 0.441 0.00 0.00 +0.090 C ATOM 9 C LIG 1 5.338 0.093 -0.173 0.00 0.00 +0.097 C ATOM 10 N LIG 1 4.066 -0.646 -0.232 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 4.487 -2.023 -0.540 0.00 0.00 +0.085 C ATOM 12 C LIG 1 5.767 -2.252 0.252 0.00 0.00 +0.029 C BRANCH 8 15 ATOM 13 N LIG 1 8.325 0.536 0.098 0.00 0.00 -0.313 N ATOM 14 H LIG 1 7.749 1.276 0.478 0.00 0.00 +0.149 HD ATOM 15 C LIG 1 7.726 -0.670 -0.212 0.00 0.00 +0.217 C ATOM 16 O LIG 1 8.255 -1.506 -0.935 0.00 0.00 -0.275 OA BRANCH 13 17 ATOM 17 C LIG 1 9.534 0.963 -0.588 0.00 0.00 +0.132 C BRANCH 17 18 ATOM 18 C LIG 1 9.206 1.645 -1.919 0.00 0.00 +0.178 C BRANCH 18 20 ATOM 19 C LIG 1 9.194 3.979 -1.452 0.00 0.00 +0.194 C ATOM 20 O LIG 1 8.410 2.820 -1.707 0.00 0.00 -0.381 OA ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 13 17 ENDBRANCH 8 15 ENDBRANCH 7 10 ENDBRANCH 1 7 BRANCH 4 21 ATOM 21 C LIG 1 -2.020 -2.922 0.797 0.00 0.00 +0.264 C BRANCH 21 22 ATOM 22 O LIG 1 -3.039 -2.033 0.325 0.00 0.00 -0.487 OA BRANCH 22 23 ATOM 23 C LIG 1 -3.653 -1.213 1.224 0.00 0.00 +0.126 A ATOM 24 C LIG 1 -4.770 -0.541 0.760 0.00 0.00 +0.024 A ATOM 25 C LIG 1 -5.420 -0.599 -0.580 0.00 0.00 +0.148 C ATOM 26 N LIG 1 -6.502 0.371 -0.455 0.00 0.00 -0.283 N ATOM 27 C LIG 1 -6.601 0.876 0.828 0.00 0.00 +0.248 C ATOM 28 O LIG 1 -7.460 1.604 1.282 0.00 0.00 -0.270 OA ATOM 29 C LIG 1 -5.474 0.328 1.591 0.00 0.00 +0.045 A ATOM 30 C LIG 1 -5.111 0.571 2.900 0.00 0.00 +0.013 A ATOM 31 C LIG 1 -3.980 -0.091 3.376 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -3.256 -0.972 2.545 0.00 0.00 +0.046 A BRANCH 26 33 ATOM 33 C LIG 1 -7.473 0.562 -1.524 0.00 0.00 +0.144 C ATOM 34 C LIG 1 -8.764 -0.182 -1.181 0.00 0.00 +0.161 C ATOM 35 O LIG 1 -8.801 -1.417 -1.201 0.00 0.00 -0.295 OA ATOM 36 C LIG 1 -9.930 0.607 -0.652 0.00 0.00 +0.150 C ATOM 37 C LIG 1 -10.017 1.994 -1.214 0.00 0.00 +0.141 C ATOM 38 O LIG 1 -11.092 2.483 -1.561 0.00 0.00 -0.297 OA ATOM 39 C LIG 1 -8.744 2.796 -1.260 0.00 0.00 +0.077 C ATOM 40 C LIG 1 -7.663 2.011 -1.983 0.00 0.00 +0.038 C ENDBRANCH 26 33 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 4 21 TORSDOF 10