REMARK Name = BDB010940 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.693 0.773 -1.069 0.00 0.00 +0.251 C ATOM 2 N LIG 1 -0.552 0.405 -0.591 0.00 0.00 -0.281 N ATOM 3 H LIG 1 -0.692 -0.576 -0.377 0.00 0.00 +0.155 HD ATOM 4 O LIG 1 1.032 1.910 -1.381 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 10 ATOM 5 C LIG 1 4.006 -0.943 -1.788 0.00 0.00 -0.032 A ATOM 6 C LIG 1 3.692 -2.283 -1.522 0.00 0.00 +0.020 A ATOM 7 C LIG 1 2.405 -2.651 -1.099 0.00 0.00 +0.091 A ATOM 8 C LIG 1 1.430 -1.663 -0.949 0.00 0.00 +0.147 A ATOM 9 F LIG 1 0.205 -2.037 -0.545 0.00 0.00 -0.204 F ATOM 10 C LIG 1 1.706 -0.320 -1.214 0.00 0.00 +0.073 A ATOM 11 C LIG 1 3.000 0.026 -1.638 0.00 0.00 +0.020 A BRANCH 7 12 ATOM 12 C LIG 1 2.047 -4.078 -0.803 0.00 0.00 +0.420 C ATOM 13 F LIG 1 1.040 -4.539 -1.594 0.00 0.00 -0.166 F ATOM 14 F LIG 1 1.637 -4.260 0.481 0.00 0.00 -0.166 F ATOM 15 F LIG 1 3.085 -4.942 -0.986 0.00 0.00 -0.166 F ENDBRANCH 7 12 BRANCH 5 16 ATOM 16 C LIG 1 5.399 -0.538 -2.230 0.00 0.00 +0.119 C BRANCH 16 20 ATOM 17 C LIG 1 6.806 2.486 1.491 0.00 0.00 +0.009 C ATOM 18 C LIG 1 7.028 1.154 0.776 0.00 0.00 +0.000 C ATOM 19 C LIG 1 6.050 0.981 -0.396 0.00 0.00 +0.088 C ATOM 20 N LIG 1 6.348 -0.231 -1.161 0.00 0.00 -0.298 NA ATOM 21 C LIG 1 6.831 -1.368 -0.382 0.00 0.00 +0.085 C ATOM 22 C LIG 1 6.425 -1.307 1.088 0.00 0.00 +0.016 C ATOM 23 C LIG 1 6.911 -0.022 1.760 0.00 0.00 +0.006 C ENDBRANCH 16 20 ENDBRANCH 5 16 ENDBRANCH 1 10 BRANCH 2 24 ATOM 24 C LIG 1 -1.666 1.239 -0.348 0.00 0.00 +0.034 A ATOM 25 C LIG 1 -2.836 0.619 0.126 0.00 0.00 +0.028 A ATOM 26 C LIG 1 -4.021 1.333 0.413 0.00 0.00 -0.032 A ATOM 27 C LIG 1 -3.968 2.724 0.197 0.00 0.00 +0.005 A ATOM 28 C LIG 1 -2.818 3.357 -0.275 0.00 0.00 +0.002 A ATOM 29 C LIG 1 -1.670 2.616 -0.547 0.00 0.00 +0.023 A BRANCH 26 30 ATOM 30 C LIG 1 -5.373 0.635 0.943 0.00 0.00 +0.056 C ATOM 31 C LIG 1 -5.304 -0.809 1.547 0.00 0.00 +0.022 C ATOM 32 C LIG 1 -6.155 -0.353 2.749 0.00 0.00 -0.012 C ATOM 33 C LIG 1 -7.613 -0.785 2.753 0.00 0.00 +0.007 C ATOM 34 C LIG 1 -5.857 1.108 2.359 0.00 0.00 +0.022 C BRANCH 30 35 ATOM 35 C LIG 1 -6.499 0.765 -0.174 0.00 0.00 +0.144 A ATOM 36 N LIG 1 -6.473 0.267 -1.448 0.00 0.00 -0.320 N ATOM 37 C LIG 1 -5.430 -0.485 -2.088 0.00 0.00 +0.151 C ATOM 38 C LIG 1 -7.645 0.648 -2.026 0.00 0.00 +0.224 A ATOM 39 N LIG 1 -8.352 1.343 -1.166 0.00 0.00 -0.138 NA ATOM 40 N LIG 1 -7.626 1.426 -0.003 0.00 0.00 -0.134 NA ENDBRANCH 30 35 ENDBRANCH 26 30 ENDBRANCH 2 24 TORSDOF 7