REMARK Name = BDB010732 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.293 -0.495 0.736 0.00 0.00 -0.306 N ATOM 2 C LIG 1 -1.605 -0.817 0.397 0.00 0.00 +0.116 A ATOM 3 C LIG 1 -2.327 0.310 0.755 0.00 0.00 +0.184 A ATOM 4 N LIG 1 -3.637 0.488 0.521 0.00 0.00 -0.203 NA ATOM 5 C LIG 1 -4.192 -0.554 -0.108 0.00 0.00 +0.202 A ATOM 6 N LIG 1 -3.598 -1.706 -0.471 0.00 0.00 -0.222 NA ATOM 7 N LIG 1 -1.554 1.214 1.403 0.00 0.00 -0.194 NA ATOM 8 C LIG 1 -2.284 -1.877 -0.201 0.00 0.00 +0.102 A ATOM 9 C LIG 1 -0.353 0.686 1.466 0.00 0.00 +0.201 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -5.630 -0.406 -0.426 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -6.270 0.720 -0.071 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -5.883 1.518 0.406 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -7.539 0.591 -0.478 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -8.425 1.417 -0.335 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -7.677 -0.631 -1.089 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -6.390 -1.259 -1.034 0.00 0.00 -0.051 NA ENDBRANCH 5 10 BRANCH 8 17 ATOM 17 C LIG 1 -1.732 -3.179 -0.535 0.00 0.00 +0.022 A ATOM 18 C LIG 1 -1.733 -3.658 -1.852 0.00 0.00 +0.033 A ATOM 19 C LIG 1 -1.191 -4.907 -2.137 0.00 0.00 +0.060 A ATOM 20 CL LIG 1 -1.165 -5.502 -3.746 0.00 0.00 -0.082 Cl ATOM 21 C LIG 1 -0.664 -5.653 -1.094 0.00 0.00 +0.130 A ATOM 22 N LIG 1 -0.652 -5.237 0.195 0.00 0.00 -0.261 NA ATOM 23 C LIG 1 -1.205 -4.026 0.443 0.00 0.00 +0.120 A ENDBRANCH 8 17 BRANCH 9 24 ATOM 24 N LIG 1 0.700 1.219 2.149 0.00 0.00 -0.295 N ATOM 25 C LIG 1 0.659 2.719 2.308 0.00 0.00 +0.107 C ATOM 26 C LIG 1 1.230 3.008 3.710 0.00 0.00 +0.026 C ATOM 27 C LIG 1 1.809 1.684 4.168 0.00 0.00 +0.021 C ATOM 28 C LIG 1 0.874 0.682 3.515 0.00 0.00 +0.108 C BRANCH 25 29 ATOM 29 C LIG 1 1.452 3.437 1.219 0.00 0.00 +0.235 C ATOM 30 F LIG 1 1.340 4.784 1.391 0.00 0.00 -0.247 F ENDBRANCH 25 29 ENDBRANCH 9 24 BRANCH 1 32 ATOM 31 C LIG 1 1.751 -1.831 1.331 0.00 0.00 +0.031 C ATOM 32 C LIG 1 0.894 -1.196 0.236 0.00 0.00 +0.091 C BRANCH 32 33 ATOM 33 C LIG 1 1.717 -0.491 -0.892 0.00 0.00 +0.012 C ATOM 34 C LIG 1 2.881 0.385 -0.407 0.00 0.00 +0.006 C ATOM 35 C LIG 1 3.665 1.004 -1.565 0.00 0.00 +0.003 C ATOM 36 C LIG 1 2.759 1.766 -2.536 0.00 0.00 -0.014 C ATOM 37 C LIG 1 3.569 2.330 -3.702 0.00 0.00 +0.007 C ATOM 38 C LIG 1 1.636 0.858 -3.047 0.00 0.00 +0.003 C ATOM 39 C LIG 1 0.828 0.267 -1.894 0.00 0.00 +0.006 C ENDBRANCH 32 33 ENDBRANCH 1 32 TORSDOF 6