REMARK Name = BDB025008 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.019 -1.094 -0.229 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.931 -1.171 0.659 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.939 -2.171 1.756 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.980 -1.813 2.832 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.592 -2.361 2.472 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.449 -2.308 1.485 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.486 -0.960 0.828 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.307 -0.232 0.562 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.012 -0.561 0.839 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.746 0.422 0.391 0.00 0.00 +0.112 A ATOM 11 N LIG 1 0.037 1.418 -0.171 0.00 0.00 -0.322 N ATOM 12 C LIG 1 1.363 0.997 -0.075 0.00 0.00 +0.070 A ATOM 13 C LIG 1 2.578 1.555 -0.484 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.746 0.824 -0.224 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.725 -0.422 0.417 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.117 -0.345 -1.195 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -0.315 2.669 -0.841 0.00 0.00 +0.120 C ATOM 18 C LIG 1 -1.424 3.533 -0.238 0.00 0.00 +0.105 C ATOM 19 C LIG 1 -1.552 4.795 -1.073 0.00 0.00 +0.274 C ATOM 20 F LIG 1 -2.571 5.552 -0.600 0.00 0.00 -0.203 F ATOM 21 F LIG 1 -0.420 5.534 -0.926 0.00 0.00 -0.203 F ATOM 22 C LIG 1 -1.762 4.486 -2.560 0.00 0.00 +0.235 C ATOM 23 O LIG 1 -1.681 3.080 -2.862 0.00 0.00 -0.372 OA ATOM 24 C LIG 1 -0.468 2.494 -2.368 0.00 0.00 +0.185 C ENDBRANCH 11 17 BRANCH 1 26 ATOM 25 C LIG 1 8.112 -1.992 -0.825 0.00 0.00 +0.282 C ATOM 26 O LIG 1 6.995 -2.006 0.066 0.00 0.00 -0.453 OA ENDBRANCH 1 26 BRANCH 10 27 ATOM 27 C LIG 1 -2.237 0.350 0.537 0.00 0.00 +0.093 C BRANCH 27 28 ATOM 28 C LIG 1 -2.882 -0.597 -0.493 0.00 0.00 +0.135 C BRANCH 28 29 ATOM 29 C LIG 1 -4.277 -1.056 -0.088 0.00 0.00 -0.033 A ATOM 30 C LIG 1 -5.281 -0.150 0.283 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -6.553 -0.602 0.645 0.00 0.00 +0.003 A ATOM 32 C LIG 1 -6.847 -1.969 0.651 0.00 0.00 -0.050 A ATOM 33 C LIG 1 -8.222 -2.450 1.007 0.00 0.00 +0.044 C ATOM 34 C LIG 1 -5.857 -2.875 0.262 0.00 0.00 +0.003 A ATOM 35 C LIG 1 -4.585 -2.425 -0.101 0.00 0.00 +0.005 A ENDBRANCH 28 29 BRANCH 28 36 ATOM 36 C LIG 1 -2.886 0.037 -1.867 0.00 0.00 +0.313 C ATOM 37 O LIG 1 -2.415 -0.447 -2.885 0.00 0.00 -0.250 OA BRANCH 36 38 ATOM 38 O LIG 1 -3.445 1.265 -1.897 0.00 0.00 -0.480 OA ATOM 39 H LIG 1 -3.257 1.599 -2.806 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 28 36 ENDBRANCH 27 28 ENDBRANCH 10 27 TORSDOF 7