REMARK Name = BDB007162 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.852 -2.233 -1.261 0.00 0.00 +0.046 C ATOM 2 C LIG 1 -1.264 -0.888 -0.764 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.425 0.080 -0.127 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -1.212 1.190 0.175 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -0.678 2.323 0.811 0.00 0.00 +0.027 A ATOM 6 C LIG 1 0.680 2.322 1.141 0.00 0.00 +0.015 A ATOM 7 C LIG 1 1.491 1.227 0.850 0.00 0.00 +0.037 A ATOM 8 N LIG 1 -2.502 0.898 -0.236 0.00 0.00 -0.339 N ATOM 9 C LIG 1 0.944 0.096 0.225 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -2.537 -0.342 -0.844 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -3.776 -0.925 -1.434 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 2.926 1.284 1.256 0.00 0.00 +0.245 C ATOM 13 N LIG 1 3.795 0.463 0.563 0.00 0.00 -0.305 N ATOM 14 H LIG 1 3.494 0.107 -0.333 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 3.282 2.054 2.142 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 5.232 0.505 0.799 0.00 0.00 +0.100 C ATOM 17 C LIG 1 5.607 -0.069 2.172 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 5.948 -0.225 -0.326 0.00 0.00 -0.027 A ATOM 19 C LIG 1 6.714 0.501 -1.256 0.00 0.00 +0.009 A ATOM 20 C LIG 1 7.393 -0.125 -2.315 0.00 0.00 -0.044 A ATOM 21 C LIG 1 7.269 -1.518 -2.429 0.00 0.00 +0.004 A ATOM 22 C LIG 1 6.498 -2.257 -1.530 0.00 0.00 +0.001 A ATOM 23 C LIG 1 5.842 -1.614 -0.483 0.00 0.00 +0.005 A BRANCH 20 24 ATOM 24 C LIG 1 8.198 0.664 -3.315 0.00 0.00 +0.019 C ATOM 25 C LIG 1 9.678 0.394 -3.464 0.00 0.00 +0.009 C ATOM 26 C LIG 1 9.215 1.681 -2.851 0.00 0.00 +0.009 C ENDBRANCH 20 24 ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 27 ATOM 27 C LIG 1 -3.652 1.782 -0.054 0.00 0.00 +0.157 C BRANCH 27 28 ATOM 28 C LIG 1 -4.581 1.296 1.032 0.00 0.00 -0.024 A ATOM 29 C LIG 1 -5.941 1.092 0.745 0.00 0.00 +0.054 A ATOM 30 C LIG 1 -6.798 0.597 1.727 0.00 0.00 +0.157 A ATOM 31 C LIG 1 -6.322 0.359 3.016 0.00 0.00 +0.165 A ATOM 32 F LIG 1 -7.153 -0.082 3.973 0.00 0.00 -0.202 F ATOM 33 C LIG 1 -4.987 0.582 3.326 0.00 0.00 +0.042 A ATOM 34 C LIG 1 -4.118 1.049 2.337 0.00 0.00 +0.008 A BRANCH 30 35 ATOM 35 O LIG 1 -8.116 0.416 1.406 0.00 0.00 -0.475 OA BRANCH 35 36 ATOM 36 C LIG 1 -8.457 -0.972 1.302 0.00 0.00 +0.278 C ATOM 37 C LIG 1 -9.929 -1.095 1.670 0.00 0.00 +0.064 C BRANCH 36 38 ATOM 38 C LIG 1 -8.252 -1.481 -0.127 0.00 0.00 +0.346 C ATOM 39 O LIG 1 -7.952 -0.829 -1.113 0.00 0.00 -0.247 OA BRANCH 38 40 ATOM 40 O LIG 1 -8.435 -2.815 -0.236 0.00 0.00 -0.478 OA ATOM 41 H LIG 1 -8.293 -2.996 -1.189 0.00 0.00 +0.295 HD ENDBRANCH 38 40 ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 30 35 ENDBRANCH 27 28 ENDBRANCH 8 27 TORSDOF 10