REMARK Name = BDB011077 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.690 -0.217 -0.194 0.00 0.00 -0.322 N ATOM 2 C LIG 1 -0.671 -1.453 0.423 0.00 0.00 +0.114 A ATOM 3 C LIG 1 -1.255 -1.218 1.658 0.00 0.00 +0.183 A ATOM 4 N LIG 1 -1.410 -2.144 2.617 0.00 0.00 -0.203 NA ATOM 5 C LIG 1 -0.933 -3.342 2.257 0.00 0.00 +0.202 A ATOM 6 N LIG 1 -0.361 -3.682 1.086 0.00 0.00 -0.222 NA ATOM 7 N LIG 1 -1.666 0.069 1.783 0.00 0.00 -0.210 NA ATOM 8 C LIG 1 -0.232 -2.740 0.126 0.00 0.00 +0.102 A ATOM 9 C LIG 1 -1.340 0.671 0.652 0.00 0.00 +0.146 A ENDROOT BRANCH 9 10 ATOM 10 C LIG 1 -1.648 2.109 0.291 0.00 0.00 +0.214 C ATOM 11 C LIG 1 -1.989 3.009 1.470 0.00 0.00 -0.008 A ATOM 12 C LIG 1 -3.273 3.569 1.599 0.00 0.00 -0.039 A ATOM 13 C LIG 1 -3.561 4.424 2.671 0.00 0.00 +0.004 A ATOM 14 C LIG 1 -2.586 4.706 3.626 0.00 0.00 +0.000 A ATOM 15 C LIG 1 -1.316 4.145 3.513 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -4.314 3.287 0.549 0.00 0.00 +0.063 C ATOM 17 C LIG 1 -3.983 1.998 -0.192 0.00 0.00 +0.166 C ATOM 18 C LIG 1 -1.016 3.304 2.441 0.00 0.00 +0.007 A ATOM 19 O LIG 1 -2.661 2.070 -0.734 0.00 0.00 -0.364 OA ENDBRANCH 9 10 BRANCH 5 20 ATOM 20 C LIG 1 -1.061 -4.403 3.280 0.00 0.00 +0.220 A ATOM 21 N LIG 1 -1.634 -4.113 4.460 0.00 0.00 -0.269 N ATOM 22 H LIG 1 -2.006 -3.224 4.755 0.00 0.00 +0.174 HD ATOM 23 C LIG 1 -1.621 -5.237 5.187 0.00 0.00 +0.440 A ATOM 24 O LIG 1 -2.056 -5.365 6.319 0.00 0.00 -0.221 OA ATOM 25 O LIG 1 -1.031 -6.229 4.441 0.00 0.00 -0.295 OA ATOM 26 N LIG 1 -0.676 -5.635 3.187 0.00 0.00 -0.051 NA ENDBRANCH 5 20 BRANCH 8 27 ATOM 27 C LIG 1 0.345 -3.183 -1.130 0.00 0.00 +0.022 A ATOM 28 C LIG 1 -0.432 -3.349 -2.285 0.00 0.00 +0.033 A ATOM 29 C LIG 1 0.166 -3.780 -3.466 0.00 0.00 +0.060 A ATOM 30 CL LIG 1 -0.766 -3.962 -4.896 0.00 0.00 -0.082 Cl ATOM 31 C LIG 1 1.526 -4.043 -3.464 0.00 0.00 +0.130 A ATOM 32 N LIG 1 2.311 -3.911 -2.369 0.00 0.00 -0.261 NA ATOM 33 C LIG 1 1.698 -3.510 -1.228 0.00 0.00 +0.120 A ENDBRANCH 8 27 BRANCH 1 34 ATOM 34 C LIG 1 -0.138 0.109 -1.501 0.00 0.00 +0.127 C BRANCH 34 39 ATOM 35 C LIG 1 5.447 1.682 -2.329 0.00 0.00 +0.007 C ATOM 36 C LIG 1 3.922 1.604 -2.292 0.00 0.00 -0.014 C ATOM 37 C LIG 1 3.414 1.613 -0.846 0.00 0.00 +0.003 C ATOM 38 C LIG 1 1.893 1.482 -0.778 0.00 0.00 +0.005 C ATOM 39 C LIG 1 1.398 0.227 -1.516 0.00 0.00 +0.009 C ATOM 40 C LIG 1 1.905 0.230 -2.966 0.00 0.00 +0.005 C ATOM 41 C LIG 1 3.425 0.357 -3.035 0.00 0.00 +0.003 C ENDBRANCH 34 39 ENDBRANCH 1 34 TORSDOF 5