REMARK Name = BDB010264 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.490 -0.525 0.531 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.124 -0.681 0.746 0.00 0.00 +0.128 A ATOM 3 C LIG 1 0.332 -1.244 1.924 0.00 0.00 +0.184 A ATOM 4 N LIG 1 1.692 -1.294 1.959 0.00 0.00 -0.211 NA ATOM 5 C LIG 1 2.112 -0.797 0.809 0.00 0.00 +0.130 A ATOM 6 N LIG 1 -0.463 -1.687 2.907 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 -1.762 -1.544 2.616 0.00 0.00 +0.242 A ATOM 8 N LIG 1 1.026 -0.438 0.023 0.00 0.00 -0.318 N ATOM 9 N LIG 1 -2.296 -0.999 1.498 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 3.566 -0.657 0.375 0.00 0.00 +0.123 C ATOM 11 N LIG 1 4.522 -0.257 1.432 0.00 0.00 -0.296 NA ATOM 12 C LIG 1 4.153 0.990 2.096 0.00 0.00 +0.105 C ATOM 13 C LIG 1 4.790 -1.313 2.417 0.00 0.00 +0.085 C ATOM 14 C LIG 1 5.294 -2.592 1.748 0.00 0.00 +0.015 C ATOM 15 C LIG 1 4.339 -3.073 0.665 0.00 0.00 +0.003 C ATOM 16 C LIG 1 4.046 -1.946 -0.321 0.00 0.00 +0.027 C ENDBRANCH 5 10 BRANCH 1 17 ATOM 17 N LIG 1 -2.005 0.079 -0.606 0.00 0.00 -0.324 N ATOM 18 H LIG 1 -1.461 0.900 -0.852 0.00 0.00 +0.148 HD BRANCH 17 20 ATOM 19 C LIG 1 -3.978 1.323 0.258 0.00 0.00 +0.028 C ATOM 20 C LIG 1 -3.445 0.326 -0.768 0.00 0.00 +0.072 C BRANCH 20 21 ATOM 21 C LIG 1 -4.290 -0.948 -0.801 0.00 0.00 +0.009 C ATOM 22 C LIG 1 -5.690 -0.834 -1.470 0.00 0.00 +0.005 C ATOM 23 C LIG 1 -5.463 -2.256 -2.021 0.00 0.00 +0.001 C ATOM 24 C LIG 1 -3.950 -1.975 -1.918 0.00 0.00 +0.005 C ENDBRANCH 20 21 ENDBRANCH 17 20 ENDBRANCH 1 17 BRANCH 7 25 ATOM 25 C LIG 1 -2.726 -2.042 3.662 0.00 0.00 +0.375 C ATOM 26 O LIG 1 -2.449 -2.561 4.731 0.00 0.00 -0.242 OA BRANCH 25 27 ATOM 27 O LIG 1 -4.026 -1.866 3.324 0.00 0.00 -0.475 OA ATOM 28 H LIG 1 -4.514 -2.235 4.087 0.00 0.00 +0.296 HD ENDBRANCH 25 27 ENDBRANCH 7 25 BRANCH 8 29 ATOM 29 C LIG 1 1.079 -0.010 -1.370 0.00 0.00 +0.159 C BRANCH 29 30 ATOM 30 C LIG 1 0.889 1.478 -1.568 0.00 0.00 -0.028 A ATOM 31 C LIG 1 1.283 2.434 -0.622 0.00 0.00 +0.006 A ATOM 32 C LIG 1 1.101 3.798 -0.867 0.00 0.00 +0.013 A ATOM 33 C LIG 1 0.527 4.241 -2.066 0.00 0.00 +0.055 A ATOM 34 C LIG 1 0.155 3.290 -3.024 0.00 0.00 +0.013 A ATOM 35 C LIG 1 0.337 1.927 -2.779 0.00 0.00 +0.006 A BRANCH 33 36 ATOM 36 C LIG 1 0.356 5.718 -2.329 0.00 0.00 +0.417 C ATOM 37 F LIG 1 -0.562 5.989 -3.299 0.00 0.00 -0.166 F ATOM 38 F LIG 1 1.514 6.309 -2.734 0.00 0.00 -0.166 F ATOM 39 F LIG 1 -0.052 6.406 -1.228 0.00 0.00 -0.166 F ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 8 29 TORSDOF 9