REMARK Name = BDB032099 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.538 -1.064 1.776 0.00 0.00 +0.012 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.924 -0.660 1.971 0.00 0.00 +0.077 C BRANCH 2 8 ATOM 3 N LIG 1 1.351 1.278 0.441 0.00 0.00 -0.280 N ATOM 4 C LIG 1 2.047 1.478 -0.730 0.00 0.00 +0.347 A ATOM 5 O LIG 1 2.228 2.538 -1.309 0.00 0.00 -0.245 OA ATOM 6 N LIG 1 2.519 0.218 -1.093 0.00 0.00 -0.209 N ATOM 7 N LIG 1 2.186 -0.711 -0.135 0.00 0.00 -0.153 NA ATOM 8 C LIG 1 1.508 -0.024 0.742 0.00 0.00 +0.134 A BRANCH 3 10 ATOM 9 C LIG 1 1.790 3.004 2.136 0.00 0.00 +0.027 C ATOM 10 C LIG 1 0.767 2.355 1.216 0.00 0.00 +0.125 C ENDBRANCH 3 10 BRANCH 6 11 ATOM 11 C LIG 1 3.428 -0.058 -2.179 0.00 0.00 +0.184 C BRANCH 11 12 ATOM 12 C LIG 1 4.872 0.034 -1.753 0.00 0.00 -0.026 A ATOM 13 C LIG 1 5.587 1.225 -1.900 0.00 0.00 +0.006 A ATOM 14 C LIG 1 6.922 1.307 -1.492 0.00 0.00 +0.004 A ATOM 15 C LIG 1 7.587 0.208 -0.917 0.00 0.00 -0.042 A ATOM 16 C LIG 1 6.849 -0.976 -0.758 0.00 0.00 +0.004 A ATOM 17 C LIG 1 5.513 -1.061 -1.166 0.00 0.00 +0.006 A BRANCH 15 18 ATOM 18 C LIG 1 9.059 0.335 -0.485 0.00 0.00 -0.013 C ATOM 19 C LIG 1 9.663 -0.977 0.071 0.00 0.00 +0.015 C ATOM 20 C LIG 1 9.178 1.403 0.625 0.00 0.00 +0.015 C ATOM 21 C LIG 1 9.925 0.757 -1.694 0.00 0.00 +0.015 C ENDBRANCH 15 18 ENDBRANCH 11 12 ENDBRANCH 6 11 ENDBRANCH 2 8 ENDBRANCH 1 2 BRANCH 1 22 ATOM 22 C LIG 1 -0.725 -2.082 0.643 0.00 0.00 +0.035 C BRANCH 22 23 ATOM 23 C LIG 1 -2.087 -2.737 0.658 0.00 0.00 -0.047 A ATOM 24 C LIG 1 -3.260 -1.972 0.532 0.00 0.00 +0.012 A ATOM 25 C LIG 1 -4.533 -2.572 0.526 0.00 0.00 -0.018 A ATOM 26 C LIG 1 -4.604 -3.970 0.637 0.00 0.00 +0.008 A ATOM 27 C LIG 1 -3.447 -4.743 0.754 0.00 0.00 +0.001 A ATOM 28 C LIG 1 -2.196 -4.130 0.765 0.00 0.00 +0.003 A BRANCH 25 29 ATOM 29 C LIG 1 -5.757 -1.759 0.398 0.00 0.00 -0.017 A ATOM 30 C LIG 1 -5.904 -0.822 -0.638 0.00 0.00 +0.015 A ATOM 31 C LIG 1 -7.074 -0.049 -0.779 0.00 0.00 -0.005 A ATOM 32 C LIG 1 -8.123 -0.211 0.144 0.00 0.00 +0.123 A ATOM 33 C LIG 1 -7.986 -1.135 1.183 0.00 0.00 +0.046 A ATOM 34 C LIG 1 -6.818 -1.900 1.305 0.00 0.00 +0.012 A BRANCH 32 35 ATOM 35 O LIG 1 -9.220 0.591 -0.044 0.00 0.00 -0.495 OA ATOM 36 C LIG 1 -10.392 0.268 0.698 0.00 0.00 +0.277 C ENDBRANCH 32 35 BRANCH 31 37 ATOM 37 C LIG 1 -7.172 0.943 -1.922 0.00 0.00 +0.050 C BRANCH 37 38 ATOM 38 C LIG 1 -6.916 2.374 -1.447 0.00 0.00 +0.125 C BRANCH 38 39 ATOM 39 C LIG 1 -6.981 3.353 -2.592 0.00 0.00 +0.305 C ATOM 40 O LIG 1 -7.053 3.059 -3.774 0.00 0.00 -0.251 OA BRANCH 39 41 ATOM 41 O LIG 1 -6.924 4.640 -2.170 0.00 0.00 -0.481 OA ATOM 42 H LIG 1 -6.877 4.729 -1.198 0.00 0.00 +0.295 HD ENDBRANCH 39 41 ENDBRANCH 38 39 ENDBRANCH 37 38 ENDBRANCH 31 37 ENDBRANCH 25 29 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 14