REMARK Name = BDB009479 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.950 0.755 -1.548 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -1.053 2.101 -1.889 0.00 0.00 +0.135 A ATOM 3 F LIG 1 0.018 2.906 -1.851 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -2.277 2.633 -2.280 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -3.413 1.820 -2.303 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -3.335 0.471 -1.922 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -2.089 -0.059 -1.554 0.00 0.00 +0.020 A ENDROOT BRANCH 1 10 ATOM 8 C LIG 1 1.433 0.619 -3.300 0.00 0.00 +0.132 C ATOM 9 N LIG 1 1.452 0.224 -1.895 0.00 0.00 -0.297 N ATOM 10 C LIG 1 0.323 0.185 -1.076 0.00 0.00 +0.249 C ATOM 11 O LIG 1 0.309 -0.324 0.044 0.00 0.00 -0.270 OA BRANCH 9 12 ATOM 12 C LIG 1 2.763 -0.170 -1.342 0.00 0.00 +0.079 C ATOM 13 C LIG 1 3.218 0.769 -0.213 0.00 0.00 +0.041 C ATOM 14 C LIG 1 4.543 0.298 0.381 0.00 0.00 +0.110 C ATOM 15 N LIG 1 4.555 -1.132 0.698 0.00 0.00 -0.297 N ATOM 16 C LIG 1 5.714 -1.853 0.979 0.00 0.00 +0.247 C ATOM 17 O LIG 1 5.777 -3.079 0.997 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 3.308 -1.862 0.476 0.00 0.00 +0.110 C ATOM 19 C LIG 1 2.820 -1.661 -0.954 0.00 0.00 +0.041 C BRANCH 16 20 ATOM 20 C LIG 1 6.961 -1.111 1.251 0.00 0.00 +0.040 A ATOM 21 C LIG 1 8.067 -1.337 0.436 0.00 0.00 +0.033 A ATOM 22 C LIG 1 9.225 -0.643 0.728 0.00 0.00 +0.111 A ATOM 23 N LIG 1 9.339 0.227 1.756 0.00 0.00 -0.263 NA ATOM 24 C LIG 1 8.256 0.394 2.547 0.00 0.00 +0.111 A ATOM 25 C LIG 1 7.051 -0.251 2.343 0.00 0.00 +0.033 A ENDBRANCH 16 20 ENDBRANCH 9 12 ENDBRANCH 1 10 BRANCH 6 26 ATOM 26 C LIG 1 -4.567 -0.407 -1.924 0.00 0.00 +0.094 C BRANCH 26 27 ATOM 27 C LIG 1 -5.705 0.152 -1.078 0.00 0.00 +0.087 A ATOM 28 C LIG 1 -5.672 -0.048 0.413 0.00 0.00 +0.059 A ATOM 29 N LIG 1 -4.603 -0.674 1.045 0.00 0.00 -0.342 N ATOM 30 H LIG 1 -3.713 -0.555 0.566 0.00 0.00 +0.146 HD ATOM 31 C LIG 1 -4.470 -0.613 2.498 0.00 0.00 +0.102 C ATOM 32 C LIG 1 -5.845 -0.785 3.139 0.00 0.00 +0.023 C ATOM 33 C LIG 1 -6.845 0.239 2.587 0.00 0.00 +0.044 C ATOM 34 C LIG 1 -6.736 0.405 1.096 0.00 0.00 +0.041 A ATOM 35 C LIG 1 -7.834 1.105 0.396 0.00 0.00 +0.270 A ATOM 36 O LIG 1 -8.810 1.542 0.998 0.00 0.00 -0.266 OA ATOM 37 N LIG 1 -7.689 1.249 -0.959 0.00 0.00 -0.243 N ATOM 38 H LIG 1 -8.437 1.721 -1.456 0.00 0.00 +0.192 HD ATOM 39 N LIG 1 -6.658 0.774 -1.710 0.00 0.00 -0.174 NA ENDBRANCH 26 27 ENDBRANCH 6 26 TORSDOF 5