REMARK Name = BDB020546 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.403 -1.363 -1.101 0.00 0.00 +0.011 A ATOM 2 C LIG 1 1.611 -0.781 -0.625 0.00 0.00 +0.010 A ATOM 3 C LIG 1 2.843 -1.321 -1.039 0.00 0.00 +0.072 A ATOM 4 N LIG 1 4.025 -0.838 -0.626 0.00 0.00 -0.246 NA ATOM 5 C LIG 1 4.053 0.213 0.233 0.00 0.00 +0.083 A ATOM 6 C LIG 1 2.903 0.844 0.690 0.00 0.00 +0.044 A ATOM 7 C LIG 1 2.847 -2.403 -1.909 0.00 0.00 +0.028 A ATOM 8 C LIG 1 1.667 -2.971 -2.388 0.00 0.00 +0.003 A ATOM 9 C LIG 1 1.677 0.322 0.255 0.00 0.00 +0.022 A ATOM 10 C LIG 1 0.444 -2.450 -1.986 0.00 0.00 +0.011 A ENDROOT BRANCH 1 18 ATOM 11 C LIG 1 -3.453 -4.729 0.920 0.00 0.00 +0.132 C ATOM 12 N LIG 1 -3.260 -3.305 0.717 0.00 0.00 -0.297 N ATOM 13 C LIG 1 -4.309 -2.448 1.040 0.00 0.00 +0.235 C ATOM 14 O LIG 1 -5.410 -2.861 1.413 0.00 0.00 -0.274 OA ATOM 15 C LIG 1 -4.062 -0.952 0.932 0.00 0.00 +0.219 C ATOM 16 N LIG 1 -2.873 -0.624 0.175 0.00 0.00 -0.320 N ATOM 17 C LIG 1 -1.833 -1.511 0.052 0.00 0.00 +0.064 A ATOM 18 C LIG 1 -0.893 -0.851 -0.704 0.00 0.00 +0.094 A ATOM 19 N LIG 1 -1.331 0.408 -1.017 0.00 0.00 -0.232 NA ATOM 20 C LIG 1 -2.533 0.536 -0.480 0.00 0.00 +0.114 A ATOM 21 C LIG 1 -1.885 -2.829 0.708 0.00 0.00 +0.163 C BRANCH 20 22 ATOM 22 C LIG 1 -3.353 1.790 -0.609 0.00 0.00 +0.059 C ATOM 23 C LIG 1 -4.530 1.631 -1.574 0.00 0.00 +0.039 C ATOM 24 C LIG 1 -5.316 2.932 -1.662 0.00 0.00 +0.160 C ATOM 25 O LIG 1 -5.726 3.359 -0.363 0.00 0.00 -0.380 OA ATOM 26 C LIG 1 -4.616 3.647 0.487 0.00 0.00 +0.160 C ATOM 27 C LIG 1 -3.797 2.386 0.728 0.00 0.00 +0.039 C ENDBRANCH 20 22 ENDBRANCH 1 18 BRANCH 5 28 ATOM 28 C LIG 1 5.391 0.630 0.606 0.00 0.00 +0.038 A ATOM 29 C LIG 1 6.422 0.809 -0.295 0.00 0.00 +0.118 A ATOM 30 N LIG 1 7.511 1.176 0.438 0.00 0.00 -0.274 N ATOM 31 C LIG 1 8.835 1.464 -0.058 0.00 0.00 +0.172 C ATOM 32 N LIG 1 7.263 1.262 1.758 0.00 0.00 -0.179 NA ATOM 33 C LIG 1 5.983 0.893 1.861 0.00 0.00 +0.144 A ENDBRANCH 5 28 BRANCH 6 34 ATOM 34 C LIG 1 2.936 2.034 1.598 0.00 0.00 +0.374 C ATOM 35 F LIG 1 3.251 1.696 2.880 0.00 0.00 -0.204 F ATOM 36 F LIG 1 1.735 2.678 1.685 0.00 0.00 -0.204 F ENDBRANCH 6 34 TORSDOF 4