REMARK Name = BDB011062 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.496 -1.181 0.340 0.00 0.00 +0.150 A ATOM 2 N LIG 1 -0.637 -0.249 -0.230 0.00 0.00 -0.322 N ATOM 3 C LIG 1 -1.094 1.006 0.131 0.00 0.00 +0.114 A ATOM 4 C LIG 1 -2.049 0.745 1.101 0.00 0.00 +0.183 A ATOM 5 N LIG 1 -2.696 1.684 1.805 0.00 0.00 -0.202 NA ATOM 6 C LIG 1 -2.336 2.927 1.474 0.00 0.00 +0.220 A ATOM 7 N LIG 1 -1.448 3.291 0.523 0.00 0.00 -0.221 NA ATOM 8 C LIG 1 -0.821 2.331 -0.196 0.00 0.00 +0.102 A ATOM 9 N LIG 1 -2.278 -0.589 1.225 0.00 0.00 -0.209 NA ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 -3.779 -2.779 -1.223 0.00 0.00 +0.011 C ATOM 11 C LIG 1 -3.007 -3.198 0.036 0.00 0.00 +0.031 C ATOM 12 C LIG 1 -1.548 -2.658 0.002 0.00 0.00 +0.171 C ATOM 13 F LIG 1 -1.064 -2.865 -1.263 0.00 0.00 -0.233 F ATOM 14 C LIG 1 -0.666 -3.462 0.963 0.00 0.00 +0.049 C ATOM 15 C LIG 1 -0.587 -4.942 0.576 0.00 0.00 +0.004 C ATOM 16 C LIG 1 -1.804 -5.441 -0.200 0.00 0.00 +0.000 C ATOM 17 C LIG 1 -3.078 -4.728 0.230 0.00 0.00 +0.007 C ENDBRANCH 1 12 BRANCH 6 18 ATOM 18 C LIG 1 -2.990 4.019 2.224 0.00 0.00 +0.287 A ATOM 19 O LIG 1 -2.611 5.278 1.879 0.00 0.00 -0.385 OA ATOM 20 C LIG 1 -3.342 6.078 2.699 0.00 0.00 +0.436 A ATOM 21 O LIG 1 -3.310 7.295 2.723 0.00 0.00 -0.221 OA ATOM 22 N LIG 1 -4.101 5.246 3.473 0.00 0.00 -0.208 N ATOM 23 H LIG 1 -4.755 5.539 4.186 0.00 0.00 +0.195 HD ATOM 24 N LIG 1 -3.877 3.940 3.172 0.00 0.00 -0.127 NA ENDBRANCH 6 18 BRANCH 8 25 ATOM 25 C LIG 1 0.042 2.797 -1.270 0.00 0.00 +0.022 A ATOM 26 C LIG 1 -0.173 2.445 -2.610 0.00 0.00 +0.033 A ATOM 27 C LIG 1 0.682 2.919 -3.601 0.00 0.00 +0.060 A ATOM 28 CL LIG 1 0.445 2.472 -5.240 0.00 0.00 -0.082 Cl ATOM 29 C LIG 1 1.730 3.746 -3.232 0.00 0.00 +0.130 A ATOM 30 N LIG 1 1.965 4.129 -1.956 0.00 0.00 -0.261 NA ATOM 31 C LIG 1 1.107 3.663 -1.015 0.00 0.00 +0.120 A ENDBRANCH 8 25 BRANCH 2 32 ATOM 32 C LIG 1 0.560 -0.542 -1.005 0.00 0.00 +0.127 C BRANCH 32 33 ATOM 33 C LIG 1 1.878 -0.056 -0.368 0.00 0.00 +0.009 C ATOM 34 C LIG 1 3.018 -0.121 -1.403 0.00 0.00 +0.005 C ATOM 35 C LIG 1 4.394 -0.409 -0.797 0.00 0.00 +0.003 C ATOM 36 C LIG 1 4.592 0.197 0.595 0.00 0.00 -0.014 C ATOM 37 C LIG 1 4.690 1.724 0.532 0.00 0.00 +0.007 C ATOM 38 C LIG 1 3.494 -0.260 1.574 0.00 0.00 +0.003 C ATOM 39 C LIG 1 2.247 -0.839 0.896 0.00 0.00 +0.005 C ENDBRANCH 32 33 ENDBRANCH 2 32 TORSDOF 5