REMARK Name = BDB058944 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.891 0.788 0.027 0.00 0.00 +0.111 A ATOM 2 C LIG 1 -2.750 1.867 0.127 0.00 0.00 +0.180 A ATOM 3 O LIG 1 -3.972 1.490 -0.352 0.00 0.00 -0.353 OA ATOM 4 N LIG 1 -3.944 0.171 -0.750 0.00 0.00 -0.077 NA ATOM 5 C LIG 1 -2.701 -0.258 -0.510 0.00 0.00 +0.128 A ENDROOT BRANCH 5 6 ATOM 6 C LIG 1 -2.356 -1.655 -0.757 0.00 0.00 +0.034 A ATOM 7 C LIG 1 -2.643 -2.642 0.211 0.00 0.00 +0.065 A ATOM 8 C LIG 1 -2.306 -3.984 -0.060 0.00 0.00 +0.013 A ATOM 9 C LIG 1 -1.697 -4.343 -1.261 0.00 0.00 +0.002 A ATOM 10 C LIG 1 -1.422 -3.371 -2.216 0.00 0.00 +0.021 A ATOM 11 C LIG 1 -1.753 -2.035 -1.972 0.00 0.00 +0.051 A ATOM 12 CL LIG 1 -1.370 -0.887 -3.211 0.00 0.00 -0.083 Cl BRANCH 7 13 ATOM 13 C LIG 1 -3.324 -2.304 1.519 0.00 0.00 +0.418 C ATOM 14 F LIG 1 -4.633 -1.973 1.366 0.00 0.00 -0.166 F ATOM 15 F LIG 1 -2.733 -1.270 2.176 0.00 0.00 -0.166 F ATOM 16 F LIG 1 -3.313 -3.344 2.405 0.00 0.00 -0.166 F ENDBRANCH 7 13 ENDBRANCH 5 6 BRANCH 2 17 ATOM 17 C LIG 1 -2.664 3.256 0.571 0.00 0.00 +0.021 A ATOM 18 C LIG 1 -1.450 3.958 0.550 0.00 0.00 +0.011 A ATOM 19 C LIG 1 -1.383 5.291 0.970 0.00 0.00 +0.001 A ATOM 20 C LIG 1 -2.530 5.943 1.415 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -3.744 5.265 1.441 0.00 0.00 +0.001 A ATOM 22 C LIG 1 -3.810 3.933 1.022 0.00 0.00 +0.011 A ENDBRANCH 2 17 BRANCH 1 25 ATOM 23 N LIG 1 0.340 0.234 -0.508 0.00 0.00 -0.281 N ATOM 24 H LIG 1 -0.054 0.086 -1.430 0.00 0.00 +0.155 HD ATOM 25 C LIG 1 -0.509 0.741 0.457 0.00 0.00 +0.254 C ATOM 26 O LIG 1 -0.178 1.153 1.561 0.00 0.00 -0.270 OA BRANCH 23 30 ATOM 27 C LIG 1 4.474 -0.644 -0.312 0.00 0.00 -0.037 A ATOM 28 C LIG 1 3.801 -0.225 0.842 0.00 0.00 +0.006 A ATOM 29 C LIG 1 2.436 0.080 0.803 0.00 0.00 +0.023 A ATOM 30 C LIG 1 1.719 -0.033 -0.388 0.00 0.00 +0.034 A ATOM 31 C LIG 1 2.388 -0.460 -1.540 0.00 0.00 +0.023 A ATOM 32 C LIG 1 3.753 -0.762 -1.505 0.00 0.00 +0.006 A BRANCH 27 33 ATOM 33 C LIG 1 5.944 -0.984 -0.264 0.00 0.00 +0.155 C BRANCH 33 35 ATOM 34 O LIG 1 5.450 -3.394 -0.290 0.00 0.00 -0.251 OA ATOM 35 C LIG 1 6.228 -2.464 -0.167 0.00 0.00 +0.309 C BRANCH 35 36 ATOM 36 O LIG 1 7.537 -2.708 0.061 0.00 0.00 -0.480 OA ATOM 37 H LIG 1 7.589 -3.687 0.097 0.00 0.00 +0.295 HD ENDBRANCH 35 36 ENDBRANCH 33 35 ENDBRANCH 27 33 ENDBRANCH 23 30 ENDBRANCH 1 25 TORSDOF 8