REMARK Name = BDB025722 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.121 -1.213 0.085 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.377 -0.024 0.271 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.976 -0.082 0.622 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.630 -1.317 0.788 0.00 0.00 +0.019 A ATOM 5 C LIG 1 0.872 -2.483 0.594 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.443 -3.690 0.727 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.478 -2.441 0.250 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -3.555 -3.997 -1.462 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -3.999 -2.552 -1.732 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.183 -2.264 -0.884 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -6.248 -1.634 -1.671 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.866 -1.452 0.320 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -5.803 -1.856 1.463 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.396 -1.585 0.797 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.487 -1.106 -0.261 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -2.811 -1.554 -1.633 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 3.058 -1.372 1.155 0.00 0.00 -0.011 A ATOM 18 C LIG 1 4.019 -0.599 0.463 0.00 0.00 +0.032 A ATOM 19 C LIG 1 5.392 -0.604 0.780 0.00 0.00 +0.033 A ATOM 20 C LIG 1 5.782 -1.429 1.841 0.00 0.00 +0.061 A ATOM 21 C LIG 1 4.853 -2.199 2.535 0.00 0.00 +0.126 A ATOM 22 F LIG 1 5.270 -2.979 3.543 0.00 0.00 -0.205 F ATOM 23 C LIG 1 3.506 -2.179 2.205 0.00 0.00 +0.047 A BRANCH 19 24 ATOM 24 N LIG 1 6.307 0.163 0.079 0.00 0.00 -0.325 N ATOM 25 C LIG 1 6.015 0.714 -1.255 0.00 0.00 +0.133 C ATOM 26 C LIG 1 7.324 0.927 -2.034 0.00 0.00 +0.178 C ATOM 27 O LIG 1 8.249 1.818 -1.395 0.00 0.00 -0.377 OA ATOM 28 C LIG 1 8.122 1.836 0.034 0.00 0.00 +0.178 C ATOM 29 C LIG 1 7.624 0.511 0.637 0.00 0.00 +0.133 C ENDBRANCH 19 24 ENDBRANCH 4 17 BRANCH 2 30 ATOM 30 N LIG 1 -1.098 1.175 0.082 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -2.074 0.990 -0.147 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -0.632 2.463 0.129 0.00 0.00 +0.250 C ATOM 33 O LIG 1 0.521 2.831 0.314 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -1.694 3.474 -0.156 0.00 0.00 +0.065 A ATOM 35 C LIG 1 -2.878 3.683 0.671 0.00 0.00 +0.073 A ATOM 36 C LIG 1 -3.761 4.642 0.323 0.00 0.00 +0.083 A ATOM 37 C LIG 1 -3.540 5.476 -0.884 0.00 0.00 +0.249 A ATOM 38 O LIG 1 -4.347 6.334 -1.217 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -2.388 5.218 -1.582 0.00 0.00 -0.328 N ATOM 40 H LIG 1 -2.223 5.801 -2.395 0.00 0.00 +0.168 HD ATOM 41 C LIG 1 -1.480 4.250 -1.231 0.00 0.00 +0.099 A BRANCH 35 42 ATOM 42 C LIG 1 -3.066 2.857 1.904 0.00 0.00 +0.418 C ATOM 43 F LIG 1 -1.959 2.813 2.681 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -3.396 1.578 1.590 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -4.073 3.323 2.689 0.00 0.00 -0.166 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 2 30 TORSDOF 6