REMARK Name = BDB018580 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.543 6.149 -2.211 0.00 0.00 +0.152 C ATOM 2 N LIG 1 -1.037 4.928 -1.594 0.00 0.00 -0.318 N ATOM 3 C LIG 1 -2.394 4.799 -1.336 0.00 0.00 +0.252 A ATOM 4 O LIG 1 -3.247 5.642 -1.596 0.00 0.00 -0.268 OA ATOM 5 C LIG 1 -2.807 3.527 -0.699 0.00 0.00 +0.079 A ATOM 6 C LIG 1 -1.922 2.561 -0.382 0.00 0.00 -0.003 A ATOM 7 C LIG 1 -0.490 2.772 -0.694 0.00 0.00 +0.009 A ATOM 8 C LIG 1 -0.131 3.933 -1.277 0.00 0.00 +0.098 A ENDROOT BRANCH 6 9 ATOM 9 C LIG 1 -2.460 1.329 0.222 0.00 0.00 -0.011 A ATOM 10 C LIG 1 -2.958 1.367 1.473 0.00 0.00 +0.078 A ATOM 11 C LIG 1 -3.496 0.150 2.136 0.00 0.00 +0.252 A ATOM 12 O LIG 1 -3.945 0.249 3.275 0.00 0.00 -0.268 OA ATOM 13 N LIG 1 -3.438 -1.026 1.394 0.00 0.00 -0.315 N ATOM 14 C LIG 1 -2.932 -1.053 0.108 0.00 0.00 +0.089 A ATOM 15 C LIG 1 -2.463 0.054 -0.478 0.00 0.00 +0.026 A BRANCH 13 16 ATOM 16 C LIG 1 -3.948 -2.258 1.989 0.00 0.00 +0.128 C BRANCH 16 17 ATOM 17 C LIG 1 -5.353 -2.526 1.527 0.00 0.00 +0.009 C ATOM 18 C LIG 1 -6.526 -1.860 2.200 0.00 0.00 +0.005 C ATOM 19 C LIG 1 -6.293 -3.334 2.387 0.00 0.00 +0.005 C ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 6 9 BRANCH 7 20 ATOM 20 C LIG 1 0.502 1.780 -0.391 0.00 0.00 +0.022 A ATOM 21 C LIG 1 1.454 1.289 -1.259 0.00 0.00 +0.123 A ATOM 22 N LIG 1 2.189 0.339 -0.572 0.00 0.00 -0.238 N ATOM 23 N LIG 1 1.752 0.230 0.701 0.00 0.00 -0.174 NA ATOM 24 C LIG 1 0.742 1.091 0.807 0.00 0.00 +0.143 A BRANCH 22 25 ATOM 25 C LIG 1 3.295 -0.429 -1.051 0.00 0.00 +0.083 A ATOM 26 C LIG 1 3.825 -1.531 -0.331 0.00 0.00 +0.081 A ATOM 27 C LIG 1 4.962 -2.234 -0.824 0.00 0.00 -0.025 A ATOM 28 C LIG 1 5.507 -1.831 -2.058 0.00 0.00 +0.005 A ATOM 29 C LIG 1 4.978 -0.764 -2.775 0.00 0.00 +0.002 A ATOM 30 C LIG 1 3.884 -0.064 -2.276 0.00 0.00 +0.029 A BRANCH 27 31 ATOM 31 C LIG 1 5.572 -3.422 -0.096 0.00 0.00 +0.020 C ATOM 32 C LIG 1 6.230 -3.220 1.252 0.00 0.00 +0.009 C ATOM 33 C LIG 1 7.072 -3.549 0.060 0.00 0.00 +0.009 C ENDBRANCH 27 31 BRANCH 26 34 ATOM 34 C LIG 1 3.219 -2.052 0.872 0.00 0.00 +0.102 C ATOM 35 N LIG 1 2.775 -2.560 1.819 0.00 0.00 -0.191 NA ENDBRANCH 26 34 ENDBRANCH 22 25 ENDBRANCH 7 20 TORSDOF 7