REMARK Name = BDB020627 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.894 1.727 -0.338 0.00 0.00 +0.043 A ATOM 2 C LIG 1 0.602 0.315 -0.658 0.00 0.00 -0.017 A ATOM 3 C LIG 1 1.802 -0.576 -0.853 0.00 0.00 +0.046 C ATOM 4 C LIG 1 -0.707 -0.074 -0.760 0.00 0.00 +0.044 A ATOM 5 N LIG 1 -1.706 0.945 -0.611 0.00 0.00 -0.318 N ATOM 6 C LIG 1 -1.419 2.288 -0.375 0.00 0.00 +0.048 A ATOM 7 C LIG 1 -2.594 3.005 -0.322 0.00 0.00 +0.035 A ATOM 8 C LIG 1 -3.659 2.097 -0.519 0.00 0.00 -0.004 A ATOM 9 C LIG 1 -3.088 0.851 -0.681 0.00 0.00 +0.099 A ATOM 10 C LIG 1 -0.064 2.663 -0.224 0.00 0.00 +0.039 A ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 -5.062 2.381 -0.533 0.00 0.00 -0.038 C ATOM 12 C LIG 1 -5.922 1.461 -1.367 0.00 0.00 +0.063 C ATOM 13 C LIG 1 -7.273 2.107 -1.673 0.00 0.00 +0.165 C ATOM 14 O LIG 1 -7.862 2.598 -0.469 0.00 0.00 -0.375 OA ATOM 15 C LIG 1 -7.111 3.682 0.083 0.00 0.00 +0.187 C ATOM 16 C LIG 1 -5.636 3.412 0.114 0.00 0.00 +0.005 C ENDBRANCH 8 11 BRANCH 1 19 ATOM 17 N LIG 1 2.703 1.857 1.207 0.00 0.00 -0.307 N ATOM 18 H LIG 1 2.139 1.224 1.763 0.00 0.00 +0.149 HD ATOM 19 C LIG 1 2.261 2.238 -0.035 0.00 0.00 +0.245 C ATOM 20 O LIG 1 2.891 2.923 -0.830 0.00 0.00 -0.270 OA BRANCH 17 21 ATOM 21 C LIG 1 4.053 2.101 1.660 0.00 0.00 +0.145 C BRANCH 21 28 ATOM 22 C LIG 1 7.180 -2.729 0.807 0.00 0.00 +0.063 C ATOM 23 C LIG 1 6.423 -1.446 0.945 0.00 0.00 +0.016 A ATOM 24 N LIG 1 5.444 -1.395 1.905 0.00 0.00 -0.326 N ATOM 25 H LIG 1 5.255 -2.206 2.482 0.00 0.00 +0.169 HD ATOM 26 C LIG 1 4.653 -0.302 2.150 0.00 0.00 +0.254 A ATOM 27 O LIG 1 3.764 -0.337 2.998 0.00 0.00 -0.268 OA ATOM 28 C LIG 1 4.912 0.919 1.317 0.00 0.00 +0.037 A ATOM 29 C LIG 1 5.877 0.861 0.372 0.00 0.00 -0.039 A ATOM 30 C LIG 1 6.253 1.976 -0.566 0.00 0.00 +0.044 C ATOM 31 C LIG 1 6.646 -0.363 0.187 0.00 0.00 +0.024 A ENDBRANCH 21 28 ENDBRANCH 17 21 ENDBRANCH 1 19 BRANCH 4 32 ATOM 32 C LIG 1 -1.242 -1.493 -1.069 0.00 0.00 +0.101 C ATOM 33 C LIG 1 -0.325 -2.482 -1.808 0.00 0.00 +0.031 C BRANCH 32 34 ATOM 34 N LIG 1 -1.875 -2.076 0.131 0.00 0.00 -0.290 NA ATOM 35 C LIG 1 -2.905 -3.089 -0.145 0.00 0.00 +0.113 C ATOM 36 C LIG 1 -3.330 -3.805 1.145 0.00 0.00 +0.175 C ATOM 37 O LIG 1 -2.261 -4.553 1.741 0.00 0.00 -0.377 OA ATOM 38 C LIG 1 -0.966 -4.003 1.467 0.00 0.00 +0.175 C ATOM 39 C LIG 1 -0.977 -2.485 1.223 0.00 0.00 +0.113 C ENDBRANCH 32 34 ENDBRANCH 4 32 TORSDOF 6