REMARK Name = BDB024930 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.606 -0.814 0.661 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.622 0.191 0.646 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.972 1.579 1.038 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.875 2.246 -0.016 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.773 2.512 1.268 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.646 1.777 1.956 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.239 0.644 1.061 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.884 0.302 0.866 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.235 0.889 1.390 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.273 0.230 0.906 0.00 0.00 +0.115 A ATOM 11 N LIG 1 -0.847 -0.807 0.092 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.538 -0.767 0.054 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.503 -1.548 -0.588 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.848 -1.209 -0.382 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.236 -0.135 0.431 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.438 -2.001 0.401 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.649 -1.837 -0.572 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -2.233 -2.850 0.428 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -3.021 -3.983 -0.253 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -3.724 -3.562 -1.549 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -3.980 -2.061 -1.603 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -2.668 -1.280 -1.582 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -2.166 -5.205 -0.510 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -2.517 -6.363 -0.352 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -0.949 -4.923 -1.006 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -0.531 -5.804 -1.127 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 7.857 -1.325 1.120 0.00 0.00 +0.282 C ATOM 28 O LIG 1 6.827 -0.339 1.055 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.694 0.576 1.252 0.00 0.00 +0.109 C BRANCH 29 30 ATOM 30 C LIG 1 -3.262 1.766 0.502 0.00 0.00 -0.037 A ATOM 31 C LIG 1 -2.543 2.962 0.371 0.00 0.00 +0.042 A ATOM 32 C LIG 1 -3.100 4.050 -0.298 0.00 0.00 +0.127 A ATOM 33 F LIG 1 -2.385 5.180 -0.404 0.00 0.00 -0.205 F ATOM 34 C LIG 1 -4.380 3.986 -0.850 0.00 0.00 -0.015 A ATOM 35 C LIG 1 -4.970 5.180 -1.536 0.00 0.00 +0.047 C ATOM 36 C LIG 1 -5.117 2.808 -0.692 0.00 0.00 +0.006 A ATOM 37 C LIG 1 -4.564 1.712 -0.021 0.00 0.00 +0.004 A ENDBRANCH 29 30 ENDBRANCH 10 29 TORSDOF 6