REMARK Name = BDB001158 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.362 -0.128 0.359 0.00 0.00 +0.237 C ATOM 2 N LIG 1 -0.502 0.861 0.788 0.00 0.00 -0.295 N ATOM 3 C LIG 1 0.868 0.928 0.275 0.00 0.00 +0.099 C ATOM 4 C LIG 1 1.437 2.247 0.828 0.00 0.00 +0.013 C ATOM 5 C LIG 1 2.303 1.872 2.038 0.00 0.00 +0.007 C ATOM 6 C LIG 1 2.153 0.366 2.227 0.00 0.00 +0.024 C ATOM 7 C LIG 1 0.201 3.074 1.162 0.00 0.00 +0.024 C ATOM 8 C LIG 1 1.793 -0.168 0.838 0.00 0.00 +0.094 C ATOM 9 C LIG 1 -0.849 2.046 1.556 0.00 0.00 +0.108 C ATOM 10 O LIG 1 -1.016 -0.937 -0.510 0.00 0.00 -0.274 OA ENDROOT BRANCH 8 11 ATOM 11 N LIG 1 2.981 -0.352 0.012 0.00 0.00 -0.307 N ATOM 12 H LIG 1 3.366 0.448 -0.471 0.00 0.00 +0.149 HD ATOM 13 C LIG 1 3.801 -1.449 0.170 0.00 0.00 +0.248 C ATOM 14 O LIG 1 3.576 -2.338 0.984 0.00 0.00 -0.270 OA BRANCH 13 15 ATOM 15 C LIG 1 4.995 -1.438 -0.654 0.00 0.00 +0.082 A ATOM 16 C LIG 1 5.273 -0.820 -1.917 0.00 0.00 +0.032 A ATOM 17 C LIG 1 6.599 -1.130 -2.206 0.00 0.00 +0.136 A ATOM 18 C LIG 1 7.278 -0.705 -3.346 0.00 0.00 +0.047 A ATOM 19 C LIG 1 6.553 0.070 -4.255 0.00 0.00 +0.004 A ATOM 20 C LIG 1 5.213 0.386 -4.022 0.00 0.00 +0.001 A ATOM 21 O LIG 1 7.130 -1.909 -1.227 0.00 0.00 -0.462 OA ATOM 22 C LIG 1 4.558 -0.054 -2.862 0.00 0.00 +0.012 A ATOM 23 C LIG 1 6.153 -2.109 -0.310 0.00 0.00 +0.209 A ENDBRANCH 13 15 ENDBRANCH 8 11 BRANCH 1 24 ATOM 24 C LIG 1 -2.768 -0.237 1.007 0.00 0.00 +0.164 C BRANCH 24 26 ATOM 25 C LIG 1 -4.232 0.504 -0.834 0.00 0.00 +0.230 C ATOM 26 N LIG 1 -3.677 -0.530 -0.108 0.00 0.00 -0.302 N ATOM 27 H LIG 1 -3.431 -1.363 -0.629 0.00 0.00 +0.150 HD ATOM 28 O LIG 1 -4.173 1.674 -0.450 0.00 0.00 -0.274 OA BRANCH 25 29 ATOM 29 C LIG 1 -5.019 0.086 -2.109 0.00 0.00 +0.137 C ATOM 30 C LIG 1 -4.323 -0.982 -2.952 0.00 0.00 +0.034 C BRANCH 29 32 ATOM 31 C LIG 1 -4.263 1.870 -3.640 0.00 0.00 +0.101 C ATOM 32 N LIG 1 -5.380 1.290 -2.902 0.00 0.00 -0.309 NA ATOM 33 H LIG 1 -5.702 1.993 -2.229 0.00 0.00 +0.122 HD ENDBRANCH 29 32 ENDBRANCH 25 29 ENDBRANCH 24 26 BRANCH 24 34 ATOM 34 C LIG 1 -2.847 -1.321 2.129 0.00 0.00 -0.011 C ATOM 35 C LIG 1 -2.469 -2.730 1.635 0.00 0.00 +0.013 C ATOM 36 C LIG 1 -1.913 -0.952 3.298 0.00 0.00 +0.013 C ATOM 37 C LIG 1 -4.289 -1.373 2.681 0.00 0.00 +0.013 C ENDBRANCH 24 34 ENDBRANCH 1 24 TORSDOF 7