REMARK Name = BDB030809 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.948 -3.311 -2.845 0.00 0.00 +0.152 C ATOM 2 N LIG 1 2.692 -2.372 -2.018 0.00 0.00 -0.308 N ATOM 3 C LIG 1 2.002 -1.428 -1.214 0.00 0.00 +0.054 A ATOM 4 C LIG 1 2.731 -0.550 -0.398 0.00 0.00 +0.025 A ATOM 5 C LIG 1 2.008 0.282 0.491 0.00 0.00 +0.035 A ATOM 6 C LIG 1 0.605 0.333 0.522 0.00 0.00 +0.033 A ATOM 7 C LIG 1 -0.085 -0.527 -0.322 0.00 0.00 +0.025 A ATOM 8 C LIG 1 4.226 -0.535 -0.452 0.00 0.00 +0.084 A ATOM 9 N LIG 1 4.862 0.511 0.218 0.00 0.00 -0.337 N ATOM 10 H LIG 1 4.278 1.318 0.403 0.00 0.00 +0.146 HD ATOM 11 C LIG 1 5.971 0.399 1.152 0.00 0.00 +0.077 C ATOM 12 C LIG 1 6.985 -0.666 0.753 0.00 0.00 +0.063 C ATOM 13 C LIG 1 7.140 -0.713 -0.755 0.00 0.00 +0.231 C ATOM 14 O LIG 1 6.227 -1.629 -1.345 0.00 0.00 -0.485 OA ATOM 15 C LIG 1 4.859 -1.486 -1.182 0.00 0.00 +0.207 A ATOM 16 C LIG 1 0.599 -1.394 -1.178 0.00 0.00 +0.028 A ATOM 17 C LIG 1 4.071 -2.504 -1.967 0.00 0.00 +0.295 A ATOM 18 O LIG 1 4.670 -3.403 -2.563 0.00 0.00 -0.264 OA ENDROOT BRANCH 11 19 ATOM 19 C LIG 1 5.416 0.151 2.529 0.00 0.00 +0.009 C ATOM 20 C LIG 1 6.156 0.626 3.755 0.00 0.00 +0.005 C ATOM 21 C LIG 1 4.867 1.290 3.355 0.00 0.00 +0.005 C ENDBRANCH 11 19 BRANCH 6 22 ATOM 22 N LIG 1 -0.030 1.165 1.464 0.00 0.00 -0.298 N ATOM 23 H LIG 1 0.608 1.806 1.925 0.00 0.00 +0.154 HD BRANCH 22 24 ATOM 24 C LIG 1 -1.343 1.711 1.470 0.00 0.00 +0.147 A ATOM 25 C LIG 1 -1.775 2.391 2.601 0.00 0.00 +0.099 A ATOM 26 CL LIG 1 -0.785 2.650 3.983 0.00 0.00 -0.078 Cl ATOM 27 C LIG 1 -3.053 2.887 2.556 0.00 0.00 +0.137 A ATOM 28 N LIG 1 -3.870 2.741 1.498 0.00 0.00 -0.221 NA ATOM 29 C LIG 1 -3.406 2.046 0.448 0.00 0.00 +0.220 A ATOM 30 N LIG 1 -2.159 1.542 0.407 0.00 0.00 -0.198 NA BRANCH 29 31 ATOM 31 N LIG 1 -4.225 1.887 -0.651 0.00 0.00 -0.289 N ATOM 32 C LIG 1 -5.676 2.000 -0.466 0.00 0.00 +0.105 C ATOM 33 C LIG 1 -6.279 0.659 0.006 0.00 0.00 +0.059 C ATOM 34 C LIG 1 -5.342 -0.559 -0.097 0.00 0.00 +0.067 C ATOM 35 C LIG 1 -4.355 -0.506 -1.280 0.00 0.00 +0.059 C ATOM 36 C LIG 1 -6.167 -1.851 -0.157 0.00 0.00 +0.041 C ATOM 37 C LIG 1 -6.285 2.410 -1.834 0.00 0.00 +0.182 C ATOM 38 O LIG 1 -5.961 1.461 -2.868 0.00 0.00 -0.376 OA ATOM 39 C LIG 1 -4.532 1.354 -3.001 0.00 0.00 +0.182 C ATOM 40 C LIG 1 -3.865 0.904 -1.674 0.00 0.00 +0.105 C BRANCH 34 41 ATOM 41 O LIG 1 -4.605 -0.635 1.136 0.00 0.00 -0.389 OA ATOM 42 H LIG 1 -3.958 -1.357 1.067 0.00 0.00 +0.210 HD ENDBRANCH 34 41 ENDBRANCH 29 31 ENDBRANCH 22 24 ENDBRANCH 6 22 TORSDOF 5