REMARK Name = BDB001153 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.170 1.492 -1.252 0.00 0.00 +0.237 C ATOM 2 N LIG 1 -1.298 2.303 -0.527 0.00 0.00 -0.295 N ATOM 3 C LIG 1 0.124 2.063 -0.235 0.00 0.00 +0.099 C ATOM 4 C LIG 1 0.720 3.470 0.026 0.00 0.00 +0.013 C ATOM 5 C LIG 1 0.987 3.575 1.533 0.00 0.00 +0.007 C ATOM 6 C LIG 1 0.337 2.353 2.162 0.00 0.00 +0.024 C ATOM 7 C LIG 1 -0.345 4.440 -0.484 0.00 0.00 +0.024 C ATOM 8 C LIG 1 0.403 1.286 1.071 0.00 0.00 +0.094 C ATOM 9 C LIG 1 -1.651 3.694 -0.291 0.00 0.00 +0.108 C ATOM 10 O LIG 1 -3.251 1.940 -1.639 0.00 0.00 -0.274 OA ENDROOT BRANCH 8 11 ATOM 11 N LIG 1 1.715 0.637 1.046 0.00 0.00 -0.307 N ATOM 12 H LIG 1 2.471 1.050 1.576 0.00 0.00 +0.149 HD ATOM 13 C LIG 1 1.913 -0.567 0.408 0.00 0.00 +0.244 C ATOM 14 O LIG 1 1.024 -1.193 -0.161 0.00 0.00 -0.270 OA BRANCH 13 15 ATOM 15 C LIG 1 3.293 -1.115 0.452 0.00 0.00 +0.040 A ATOM 16 C LIG 1 4.414 -0.276 0.373 0.00 0.00 +0.062 A ATOM 17 C LIG 1 5.657 -0.875 0.391 0.00 0.00 +0.167 A ATOM 18 O LIG 1 6.851 -0.224 0.308 0.00 0.00 -0.453 OA ATOM 19 C LIG 1 7.769 -1.336 0.376 0.00 0.00 +0.466 C ATOM 20 O LIG 1 7.113 -2.618 0.484 0.00 0.00 -0.453 OA ATOM 21 C LIG 1 5.807 -2.241 0.481 0.00 0.00 +0.166 A ATOM 22 C LIG 1 4.724 -3.091 0.541 0.00 0.00 +0.050 A ATOM 23 C LIG 1 3.450 -2.517 0.516 0.00 0.00 +0.017 A ENDBRANCH 13 15 ENDBRANCH 8 11 BRANCH 1 24 ATOM 24 C LIG 1 -1.721 0.037 -1.590 0.00 0.00 +0.164 C BRANCH 24 26 ATOM 25 C LIG 1 -2.742 -1.111 0.412 0.00 0.00 +0.230 C ATOM 26 N LIG 1 -1.672 -0.806 -0.398 0.00 0.00 -0.302 N ATOM 27 H LIG 1 -0.758 -1.189 -0.150 0.00 0.00 +0.150 HD ATOM 28 O LIG 1 -3.856 -0.609 0.287 0.00 0.00 -0.274 OA BRANCH 25 29 ATOM 29 C LIG 1 -2.408 -2.119 1.534 0.00 0.00 +0.137 C ATOM 30 C LIG 1 -3.652 -2.882 1.983 0.00 0.00 +0.034 C BRANCH 29 32 ATOM 31 C LIG 1 -2.440 -0.378 3.276 0.00 0.00 +0.101 C ATOM 32 N LIG 1 -1.691 -1.468 2.658 0.00 0.00 -0.309 NA ATOM 33 H LIG 1 -1.501 -2.174 3.367 0.00 0.00 +0.122 HD ENDBRANCH 29 32 ENDBRANCH 25 29 ENDBRANCH 24 26 BRANCH 24 34 ATOM 34 C LIG 1 -2.385 -0.642 -2.839 0.00 0.00 -0.011 C ATOM 35 C LIG 1 -3.878 -0.968 -2.681 0.00 0.00 +0.013 C ATOM 36 C LIG 1 -2.211 0.263 -4.081 0.00 0.00 +0.013 C ATOM 37 C LIG 1 -1.645 -1.969 -3.141 0.00 0.00 +0.013 C ENDBRANCH 24 34 ENDBRANCH 1 24 TORSDOF 7