REMARK Name = BDB041250 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.524 1.387 1.589 0.00 0.00 -0.315 N ATOM 2 C LIG 1 -0.500 2.648 2.339 0.00 0.00 +0.131 C ENDROOT BRANCH 1 4 ATOM 3 C LIG 1 -2.123 0.086 2.897 0.00 0.00 +0.178 A ATOM 4 C LIG 1 -1.806 0.793 1.729 0.00 0.00 +0.167 A ATOM 5 N LIG 1 -2.695 0.933 0.723 0.00 0.00 -0.209 NA ATOM 6 C LIG 1 -3.906 0.372 0.876 0.00 0.00 +0.169 A ATOM 7 N LIG 1 -4.303 -0.334 1.948 0.00 0.00 -0.232 NA ATOM 8 C LIG 1 -3.396 -0.450 2.938 0.00 0.00 +0.162 A BRANCH 6 9 ATOM 9 C LIG 1 -4.825 0.473 -0.239 0.00 0.00 +0.102 A ATOM 10 C LIG 1 -5.074 -0.601 -1.094 0.00 0.00 +0.062 A ATOM 11 N LIG 1 -5.936 -0.489 -2.139 0.00 0.00 -0.239 NA ATOM 12 C LIG 1 -6.529 0.696 -2.325 0.00 0.00 +0.225 A ATOM 13 N LIG 1 -6.358 1.784 -1.573 0.00 0.00 -0.201 NA ATOM 14 C LIG 1 -5.504 1.645 -0.539 0.00 0.00 +0.229 A BRANCH 10 15 ATOM 15 C LIG 1 -4.409 -1.954 -0.898 0.00 0.00 +0.039 C ATOM 16 C LIG 1 -3.905 -2.732 -2.093 0.00 0.00 +0.010 C ATOM 17 C LIG 1 -2.925 -2.117 -1.142 0.00 0.00 +0.010 C ENDBRANCH 10 15 BRANCH 14 18 ATOM 18 O LIG 1 -5.304 2.731 0.297 0.00 0.00 -0.479 OA ATOM 19 C LIG 1 -6.016 3.899 -0.098 0.00 0.00 +0.279 C ENDBRANCH 14 18 ENDBRANCH 6 9 BRANCH 3 21 ATOM 20 C LIG 1 -1.480 -0.852 4.989 0.00 0.00 +0.277 C ATOM 21 O LIG 1 -1.172 -0.030 3.872 0.00 0.00 -0.490 OA ENDBRANCH 3 21 ENDBRANCH 1 4 BRANCH 1 22 ATOM 22 C LIG 1 -0.050 1.486 0.198 0.00 0.00 +0.115 C BRANCH 22 23 ATOM 23 C LIG 1 1.337 0.825 0.040 0.00 0.00 +0.010 C ATOM 24 C LIG 1 1.782 0.914 -1.434 0.00 0.00 +0.169 C ATOM 25 O LIG 1 3.060 0.304 -1.658 0.00 0.00 -0.365 OA ATOM 26 C LIG 1 3.635 -0.252 -0.459 0.00 0.00 +0.127 C ATOM 27 C LIG 1 3.799 0.901 0.552 0.00 0.00 +0.043 C ATOM 28 C LIG 1 2.673 -1.312 0.103 0.00 0.00 +0.043 C ATOM 29 C LIG 1 2.433 1.510 0.882 0.00 0.00 +0.014 C ATOM 30 C LIG 1 1.315 -0.674 0.417 0.00 0.00 +0.014 C BRANCH 26 31 ATOM 31 C LIG 1 4.973 -0.864 -0.807 0.00 0.00 +0.142 A ATOM 32 N LIG 1 5.298 -1.456 -2.010 0.00 0.00 -0.334 N ATOM 33 C LIG 1 4.455 -1.610 -3.172 0.00 0.00 +0.150 C ATOM 34 C LIG 1 6.591 -1.901 -1.931 0.00 0.00 +0.119 A ATOM 35 C LIG 1 7.030 -1.579 -0.661 0.00 0.00 +0.162 A ATOM 36 N LIG 1 6.002 -0.946 0.021 0.00 0.00 -0.225 NA BRANCH 35 37 ATOM 37 C LIG 1 8.372 -1.835 -0.040 0.00 0.00 +0.436 C ATOM 38 F LIG 1 8.284 -2.545 1.117 0.00 0.00 -0.164 F ATOM 39 F LIG 1 9.037 -0.685 0.249 0.00 0.00 -0.164 F ATOM 40 F LIG 1 9.186 -2.551 -0.866 0.00 0.00 -0.164 F ENDBRANCH 35 37 ENDBRANCH 26 31 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 9