REMARK Name = BDB013924 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.524 -1.057 -1.855 0.00 0.00 +0.160 C ATOM 2 C LIG 1 0.178 -1.603 -1.406 0.00 0.00 +0.240 C ATOM 3 O LIG 1 -0.659 -1.865 -2.282 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -0.069 -1.860 -0.054 0.00 0.00 -0.265 N ATOM 5 C LIG 1 0.902 -1.996 1.018 0.00 0.00 +0.040 A ATOM 6 C LIG 1 2.291 -2.210 0.877 0.00 0.00 -0.026 A ATOM 7 C LIG 1 3.094 -2.337 2.050 0.00 0.00 +0.005 A ATOM 8 C LIG 1 2.575 -2.246 3.334 0.00 0.00 +0.000 A ATOM 9 C LIG 1 1.226 -2.015 3.485 0.00 0.00 +0.002 A ATOM 10 C LIG 1 3.129 -2.334 -0.372 0.00 0.00 +0.039 C ATOM 11 C LIG 1 0.417 -1.893 2.351 0.00 0.00 +0.024 A ATOM 12 C LIG 1 2.519 -2.191 -1.744 0.00 0.00 +0.036 C ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 1.913 1.403 -1.796 0.00 0.00 +0.230 C ATOM 14 N LIG 1 1.904 0.171 -1.178 0.00 0.00 -0.303 N ATOM 15 H LIG 1 1.976 0.207 -0.164 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 1.757 1.554 -3.004 0.00 0.00 -0.274 OA BRANCH 13 17 ATOM 17 C LIG 1 2.061 2.583 -0.808 0.00 0.00 +0.137 C ATOM 18 C LIG 1 2.619 3.831 -1.486 0.00 0.00 +0.034 C BRANCH 17 20 ATOM 19 C LIG 1 4.217 1.974 0.224 0.00 0.00 +0.101 C ATOM 20 N LIG 1 2.785 2.177 0.430 0.00 0.00 -0.309 NA ATOM 21 H LIG 1 2.672 2.930 1.111 0.00 0.00 +0.122 HD ENDBRANCH 17 20 ENDBRANCH 13 17 ENDBRANCH 1 14 BRANCH 4 22 ATOM 22 C LIG 1 -1.466 -2.272 0.207 0.00 0.00 +0.153 C BRANCH 22 23 ATOM 23 C LIG 1 -2.571 -1.247 -0.080 0.00 0.00 +0.020 A ATOM 24 C LIG 1 -2.510 0.151 0.238 0.00 0.00 -0.010 A ATOM 25 C LIG 1 -3.631 0.977 -0.074 0.00 0.00 -0.017 A ATOM 26 C LIG 1 -3.617 2.356 0.201 0.00 0.00 +0.023 A ATOM 27 C LIG 1 -2.514 2.950 0.813 0.00 0.00 +0.059 A ATOM 28 C LIG 1 -1.407 2.177 1.127 0.00 0.00 +0.015 A ATOM 29 C LIG 1 -4.777 0.426 -0.657 0.00 0.00 +0.012 A ATOM 30 C LIG 1 -4.850 -0.931 -0.932 0.00 0.00 +0.046 A ATOM 31 C LIG 1 -1.411 0.808 0.842 0.00 0.00 +0.010 A ATOM 32 C LIG 1 -3.759 -1.751 -0.659 0.00 0.00 +0.125 A BRANCH 27 33 ATOM 33 C LIG 1 -2.466 4.399 1.109 0.00 0.00 +0.337 C ATOM 34 O LIG 1 -1.458 5.070 0.976 0.00 0.00 -0.245 OA BRANCH 33 35 ATOM 35 O LIG 1 -3.631 4.881 1.590 0.00 0.00 -0.477 OA ATOM 36 H LIG 1 -4.296 4.202 1.808 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 27 33 BRANCH 32 37 ATOM 37 O LIG 1 -3.881 -3.100 -0.895 0.00 0.00 -0.495 OA ATOM 38 C LIG 1 -3.912 -3.370 -2.300 0.00 0.00 +0.277 C ENDBRANCH 32 37 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 8