REMARK Name = BDB005730 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.134 1.255 0.117 0.00 0.00 +0.200 A ATOM 2 N LIG 1 -0.529 0.115 -0.386 0.00 0.00 -0.310 N ATOM 3 C LIG 1 -1.319 -0.969 -0.039 0.00 0.00 +0.096 A ATOM 4 C LIG 1 -2.274 -0.414 0.811 0.00 0.00 +0.095 A ATOM 5 C LIG 1 -3.216 -1.218 1.454 0.00 0.00 +0.061 A ATOM 6 C LIG 1 -3.134 -2.571 1.185 0.00 0.00 +0.112 A ATOM 7 N LIG 1 -2.232 -3.115 0.334 0.00 0.00 -0.241 NA ATOM 8 C LIG 1 -1.324 -2.340 -0.316 0.00 0.00 +0.099 A ATOM 9 N LIG 1 -2.150 0.945 0.884 0.00 0.00 -0.214 NA ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 -0.434 3.080 2.257 0.00 0.00 +0.030 C ATOM 11 C LIG 1 -0.818 3.564 0.856 0.00 0.00 +0.094 C ATOM 12 N LIG 1 -0.710 2.515 -0.208 0.00 0.00 -0.295 N ATOM 13 C LIG 1 -1.213 2.931 -1.552 0.00 0.00 +0.131 C ATOM 14 C LIG 1 -1.193 4.426 -1.766 0.00 0.00 +0.185 C ATOM 15 S LIG 1 -2.333 5.192 -0.638 0.00 0.00 -0.028 S ATOM 16 O LIG 1 -1.824 6.521 -0.354 0.00 0.00 -0.174 OA ATOM 17 O LIG 1 -3.671 5.012 -1.170 0.00 0.00 -0.174 OA ATOM 18 C LIG 1 -2.187 4.222 0.848 0.00 0.00 +0.188 C ENDBRANCH 1 12 BRANCH 6 19 ATOM 19 C LIG 1 -4.061 -3.540 1.818 0.00 0.00 +0.201 A ATOM 20 N LIG 1 -5.158 -3.137 2.481 0.00 0.00 -0.270 N ATOM 21 H LIG 1 -5.540 -2.220 2.621 0.00 0.00 +0.174 HD ATOM 22 C LIG 1 -5.782 -4.247 2.906 0.00 0.00 +0.440 A ATOM 23 O LIG 1 -6.831 -4.273 3.530 0.00 0.00 -0.221 OA ATOM 24 O LIG 1 -5.049 -5.337 2.522 0.00 0.00 -0.295 OA ATOM 25 N LIG 1 -3.925 -4.826 1.800 0.00 0.00 -0.053 NA ENDBRANCH 6 19 BRANCH 8 26 ATOM 26 C LIG 1 -0.476 -3.033 -1.273 0.00 0.00 +0.022 A ATOM 27 C LIG 1 -0.515 -2.750 -2.645 0.00 0.00 +0.033 A ATOM 28 C LIG 1 0.314 -3.445 -3.522 0.00 0.00 +0.060 A ATOM 29 CL LIG 1 0.298 -3.087 -5.199 0.00 0.00 -0.082 Cl ATOM 30 C LIG 1 1.157 -4.417 -3.008 0.00 0.00 +0.130 A ATOM 31 N LIG 1 1.214 -4.738 -1.695 0.00 0.00 -0.261 NA ATOM 32 C LIG 1 0.382 -4.057 -0.868 0.00 0.00 +0.120 A ENDBRANCH 8 26 BRANCH 2 33 ATOM 33 C LIG 1 0.746 0.089 -1.084 0.00 0.00 +0.128 C BRANCH 33 34 ATOM 34 C LIG 1 1.901 -0.590 -0.316 0.00 0.00 +0.009 C ATOM 35 C LIG 1 2.337 0.199 0.934 0.00 0.00 +0.005 C ATOM 36 C LIG 1 3.471 1.173 0.637 0.00 0.00 +0.003 C ATOM 37 C LIG 1 4.734 0.451 0.130 0.00 0.00 -0.014 C ATOM 38 C LIG 1 5.745 0.236 1.257 0.00 0.00 +0.007 C ATOM 39 C LIG 1 4.412 -0.890 -0.553 0.00 0.00 +0.003 C ATOM 40 C LIG 1 3.077 -0.829 -1.285 0.00 0.00 +0.005 C ENDBRANCH 33 34 ENDBRANCH 2 33 TORSDOF 5