REMARK Name = BDB005760 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.548 0.096 0.039 0.00 0.00 +0.200 A ATOM 2 N LIG 1 0.262 0.354 -0.404 0.00 0.00 -0.310 N ATOM 3 C LIG 1 -0.131 1.579 0.113 0.00 0.00 +0.096 A ATOM 4 C LIG 1 0.934 1.939 0.938 0.00 0.00 +0.095 A ATOM 5 C LIG 1 0.890 3.110 1.691 0.00 0.00 +0.061 A ATOM 6 C LIG 1 -0.261 3.858 1.549 0.00 0.00 +0.112 A ATOM 7 N LIG 1 -1.306 3.538 0.741 0.00 0.00 -0.241 NA ATOM 8 C LIG 1 -1.258 2.402 -0.005 0.00 0.00 +0.099 A ATOM 9 N LIG 1 1.944 1.022 0.875 0.00 0.00 -0.214 NA ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 3.247 -1.604 0.530 0.00 0.00 +0.094 C ATOM 11 N LIG 1 2.255 -0.986 -0.396 0.00 0.00 -0.288 N ATOM 12 C LIG 1 2.921 -0.739 -1.712 0.00 0.00 +0.204 C ATOM 13 C LIG 1 4.257 0.027 -1.618 0.00 0.00 +0.233 C ATOM 14 O LIG 1 4.635 0.720 -2.566 0.00 0.00 -0.274 OA ATOM 15 N LIG 1 5.053 -0.198 -0.491 0.00 0.00 -0.301 N ATOM 16 C LIG 1 6.291 0.549 -0.371 0.00 0.00 +0.132 C ATOM 17 C LIG 1 4.452 -0.676 0.760 0.00 0.00 +0.130 C BRANCH 10 19 ATOM 18 C LIG 1 2.247 -1.295 2.934 0.00 0.00 +0.006 C ATOM 19 C LIG 1 2.641 -2.228 1.800 0.00 0.00 +0.021 C ENDBRANCH 10 19 ENDBRANCH 1 11 BRANCH 6 20 ATOM 20 C LIG 1 -0.419 5.112 2.304 0.00 0.00 +0.201 A ATOM 21 N LIG 1 -1.532 5.838 2.140 0.00 0.00 -0.270 N ATOM 22 H LIG 1 -2.308 5.627 1.535 0.00 0.00 +0.174 HD ATOM 23 C LIG 1 -1.415 6.911 2.933 0.00 0.00 +0.440 A ATOM 24 O LIG 1 -2.233 7.808 3.056 0.00 0.00 -0.221 OA ATOM 25 O LIG 1 -0.210 6.833 3.591 0.00 0.00 -0.295 OA ATOM 26 N LIG 1 0.418 5.624 3.144 0.00 0.00 -0.053 NA ENDBRANCH 6 20 BRANCH 8 27 ATOM 27 C LIG 1 -2.394 2.179 -0.880 0.00 0.00 +0.022 A ATOM 28 C LIG 1 -2.311 2.375 -2.266 0.00 0.00 +0.033 A ATOM 29 C LIG 1 -3.430 2.158 -3.064 0.00 0.00 +0.060 A ATOM 30 CL LIG 1 -3.340 2.367 -4.764 0.00 0.00 -0.082 Cl ATOM 31 C LIG 1 -4.611 1.761 -2.457 0.00 0.00 +0.130 A ATOM 32 N LIG 1 -4.741 1.578 -1.122 0.00 0.00 -0.261 NA ATOM 33 C LIG 1 -3.637 1.808 -0.369 0.00 0.00 +0.120 A ENDBRANCH 8 27 BRANCH 2 34 ATOM 34 C LIG 1 -0.533 -0.539 -1.233 0.00 0.00 +0.128 C BRANCH 34 35 ATOM 35 C LIG 1 -1.622 -1.308 -0.459 0.00 0.00 +0.009 C ATOM 36 C LIG 1 -1.003 -2.373 0.466 0.00 0.00 +0.005 C ATOM 37 C LIG 1 -1.997 -3.483 0.782 0.00 0.00 +0.003 C ATOM 38 C LIG 1 -2.388 -4.260 -0.487 0.00 0.00 -0.014 C ATOM 39 C LIG 1 -3.745 -4.938 -0.293 0.00 0.00 +0.007 C ATOM 40 C LIG 1 -2.374 -3.375 -1.747 0.00 0.00 +0.003 C ATOM 41 C LIG 1 -2.663 -1.912 -1.425 0.00 0.00 +0.005 C ENDBRANCH 34 35 ENDBRANCH 2 34 TORSDOF 6