REMARK Name = BDB046397 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.444 -0.778 1.005 0.00 0.00 -0.046 A ATOM 2 C LIG 1 -1.226 -0.868 0.320 0.00 0.00 +0.020 A ATOM 3 C LIG 1 -0.040 -0.311 0.841 0.00 0.00 +0.079 A ATOM 4 C LIG 1 -0.086 0.354 2.086 0.00 0.00 +0.132 A ATOM 5 C LIG 1 -1.311 0.444 2.765 0.00 0.00 +0.046 A ATOM 6 C LIG 1 -2.475 -0.115 2.230 0.00 0.00 +0.007 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 1.198 -0.484 -0.006 0.00 0.00 +0.252 C ATOM 8 N LIG 1 2.368 0.059 0.486 0.00 0.00 -0.281 N ATOM 9 H LIG 1 2.287 0.529 1.382 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 1.096 -1.090 -1.070 0.00 0.00 -0.270 OA BRANCH 8 11 ATOM 11 C LIG 1 3.651 0.044 -0.093 0.00 0.00 +0.034 A ATOM 12 C LIG 1 3.952 -0.552 -1.317 0.00 0.00 +0.024 A ATOM 13 C LIG 1 5.258 -0.522 -1.822 0.00 0.00 +0.014 A ATOM 14 C LIG 1 6.290 0.100 -1.107 0.00 0.00 +0.055 A ATOM 15 C LIG 1 5.984 0.707 0.118 0.00 0.00 +0.014 A ATOM 16 C LIG 1 4.679 0.675 0.620 0.00 0.00 +0.024 A BRANCH 14 17 ATOM 17 C LIG 1 7.691 0.152 -1.663 0.00 0.00 +0.417 C ATOM 18 F LIG 1 8.649 0.152 -0.693 0.00 0.00 -0.166 F ATOM 19 F LIG 1 7.914 1.272 -2.405 0.00 0.00 -0.166 F ATOM 20 F LIG 1 7.989 -0.900 -2.475 0.00 0.00 -0.166 F ENDBRANCH 14 17 ENDBRANCH 8 11 ENDBRANCH 3 7 BRANCH 4 21 ATOM 21 O LIG 1 1.081 0.888 2.575 0.00 0.00 -0.494 OA ATOM 22 C LIG 1 1.040 1.533 3.845 0.00 0.00 +0.277 C ENDBRANCH 4 21 BRANCH 1 23 ATOM 23 C LIG 1 -3.703 -1.372 0.414 0.00 0.00 +0.049 C BRANCH 23 24 ATOM 24 C LIG 1 -4.329 -0.491 -0.681 0.00 0.00 +0.102 C BRANCH 24 26 ATOM 25 C LIG 1 -5.988 -0.509 -2.618 0.00 0.00 +0.004 C ATOM 26 C LIG 1 -5.464 -1.245 -1.392 0.00 0.00 +0.011 C ENDBRANCH 24 26 BRANCH 24 27 ATOM 27 C LIG 1 -4.872 0.776 -0.058 0.00 0.00 +0.308 C ATOM 28 O LIG 1 -5.564 0.860 0.944 0.00 0.00 -0.251 OA BRANCH 27 29 ATOM 29 O LIG 1 -4.534 1.881 -0.750 0.00 0.00 -0.480 OA ATOM 30 H LIG 1 -4.947 2.616 -0.252 0.00 0.00 +0.295 HD ENDBRANCH 27 29 ENDBRANCH 24 27 ENDBRANCH 23 24 ENDBRANCH 1 23 TORSDOF 9