REMARK Name = BDB039070 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.179 -3.583 -0.297 0.00 0.00 +0.403 C ATOM 2 N LIG 1 4.744 -2.301 -0.589 0.00 0.00 -0.263 N ATOM 3 C LIG 1 3.379 -1.960 -0.211 0.00 0.00 +0.148 C ATOM 4 C LIG 1 2.862 -0.676 -0.813 0.00 0.00 +0.001 A ATOM 5 C LIG 1 3.685 0.162 -1.595 0.00 0.00 -0.038 A ATOM 6 C LIG 1 3.174 1.342 -2.148 0.00 0.00 +0.025 A ATOM 7 C LIG 1 1.847 1.738 -1.927 0.00 0.00 +0.078 A ATOM 8 C LIG 1 1.027 0.911 -1.139 0.00 0.00 +0.087 A ATOM 9 N LIG 1 -0.291 0.941 -0.713 0.00 0.00 -0.326 N ATOM 10 C LIG 1 -0.505 -0.158 0.100 0.00 0.00 +0.114 A ATOM 11 N LIG 1 0.577 -0.904 0.163 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 5.109 -0.245 -1.886 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.529 -0.268 -0.585 0.00 0.00 +0.095 A ATOM 14 C LIG 1 5.659 -1.191 -0.822 0.00 0.00 +0.116 C ATOM 15 O LIG 1 4.448 -4.477 0.113 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -1.799 -0.478 0.803 0.00 0.00 +0.055 C ATOM 17 C LIG 1 -1.538 -0.883 2.263 0.00 0.00 +0.012 C ATOM 18 C LIG 1 -2.833 -1.268 2.975 0.00 0.00 +0.015 C ATOM 19 C LIG 1 -3.571 -2.388 2.229 0.00 0.00 +0.098 C ATOM 20 C LIG 1 -3.830 -1.999 0.771 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -2.543 -1.594 0.055 0.00 0.00 +0.012 C BRANCH 19 22 ATOM 22 C LIG 1 -4.889 -2.710 2.910 0.00 0.00 +0.308 C ATOM 23 O LIG 1 -5.530 -1.929 3.595 0.00 0.00 -0.251 OA BRANCH 22 24 ATOM 24 O LIG 1 -5.317 -3.969 2.662 0.00 0.00 -0.480 OA ATOM 25 H LIG 1 -4.716 -4.493 2.099 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 19 22 ENDBRANCH 10 16 BRANCH 1 27 ATOM 26 C LIG 1 6.996 -5.059 -0.234 0.00 0.00 +0.282 C ATOM 27 O LIG 1 6.513 -3.746 -0.517 0.00 0.00 -0.454 OA ENDBRANCH 1 27 BRANCH 7 28 ATOM 28 C LIG 1 1.362 2.960 -2.483 0.00 0.00 +0.101 C ATOM 29 N LIG 1 0.966 3.957 -2.927 0.00 0.00 -0.191 NA ENDBRANCH 7 28 BRANCH 9 30 ATOM 30 C LIG 1 -1.306 1.920 -1.066 0.00 0.00 +0.128 C BRANCH 30 31 ATOM 31 C LIG 1 -1.352 3.086 -0.080 0.00 0.00 +0.057 C BRANCH 31 32 ATOM 32 C LIG 1 -2.510 4.005 -0.374 0.00 0.00 -0.046 A ATOM 33 C LIG 1 -2.389 5.009 -1.344 0.00 0.00 +0.004 A ATOM 34 C LIG 1 -3.470 5.843 -1.634 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -4.680 5.679 -0.962 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -4.810 4.681 0.002 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -3.731 3.846 0.294 0.00 0.00 +0.004 A ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 9 30 TORSDOF 8