REMARK Name = BDB009533 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.097 -1.193 0.240 0.00 0.00 +0.144 A ATOM 2 N LIG 1 0.898 -0.502 0.140 0.00 0.00 -0.315 N ATOM 3 C LIG 1 -0.038 -1.349 -0.420 0.00 0.00 +0.129 A ATOM 4 C LIG 1 0.641 -2.550 -0.550 0.00 0.00 +0.184 A ATOM 5 N LIG 1 0.099 -3.681 -1.021 0.00 0.00 -0.200 NA ATOM 6 C LIG 1 -1.183 -3.528 -1.371 0.00 0.00 +0.242 A ATOM 7 N LIG 1 -1.918 -2.395 -1.300 0.00 0.00 -0.205 NA ATOM 8 C LIG 1 -1.368 -1.260 -0.826 0.00 0.00 +0.149 A ATOM 9 N LIG 1 1.934 -2.447 -0.134 0.00 0.00 -0.208 NA ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 5.163 -0.793 2.382 0.00 0.00 +0.121 A ATOM 11 C LIG 1 3.972 -1.291 1.851 0.00 0.00 +0.057 A ATOM 12 C LIG 1 3.353 -0.652 0.765 0.00 0.00 +0.021 A ATOM 13 C LIG 1 3.961 0.469 0.191 0.00 0.00 +0.012 A ATOM 14 C LIG 1 5.147 0.975 0.722 0.00 0.00 +0.004 A ATOM 15 C LIG 1 5.738 0.349 1.820 0.00 0.00 +0.045 A BRANCH 10 17 ATOM 16 C LIG 1 5.402 -2.574 3.937 0.00 0.00 +0.277 C ATOM 17 O LIG 1 5.852 -1.318 3.441 0.00 0.00 -0.495 OA ENDBRANCH 10 17 ENDBRANCH 1 12 BRANCH 6 18 ATOM 18 C LIG 1 -1.871 -4.760 -1.897 0.00 0.00 +0.375 C ATOM 19 O LIG 1 -1.383 -5.869 -2.045 0.00 0.00 -0.242 OA BRANCH 18 20 ATOM 20 O LIG 1 -3.171 -4.555 -2.218 0.00 0.00 -0.475 OA ATOM 21 H LIG 1 -3.469 -5.430 -2.541 0.00 0.00 +0.296 HD ENDBRANCH 18 20 ENDBRANCH 6 18 BRANCH 8 22 ATOM 22 N LIG 1 -2.108 -0.098 -0.819 0.00 0.00 -0.324 N ATOM 23 H LIG 1 -1.743 0.722 -0.363 0.00 0.00 +0.148 HD BRANCH 22 24 ATOM 24 C LIG 1 -3.560 -0.141 -0.977 0.00 0.00 +0.072 C ATOM 25 C LIG 1 -3.989 1.152 -1.676 0.00 0.00 +0.028 C BRANCH 24 26 ATOM 26 C LIG 1 -4.243 -0.229 0.390 0.00 0.00 +0.009 C ATOM 27 C LIG 1 -4.162 -1.584 1.149 0.00 0.00 +0.005 C ATOM 28 C LIG 1 -5.588 -1.299 1.661 0.00 0.00 +0.001 C ATOM 29 C LIG 1 -5.785 -0.436 0.399 0.00 0.00 +0.005 C ENDBRANCH 24 26 ENDBRANCH 22 24 ENDBRANCH 8 22 BRANCH 2 30 ATOM 30 C LIG 1 0.637 0.801 0.740 0.00 0.00 +0.159 C BRANCH 30 31 ATOM 31 C LIG 1 0.865 1.977 -0.182 0.00 0.00 -0.028 A ATOM 32 C LIG 1 1.297 3.191 0.378 0.00 0.00 +0.006 A ATOM 33 C LIG 1 1.498 4.321 -0.419 0.00 0.00 +0.013 A ATOM 34 C LIG 1 1.266 4.270 -1.799 0.00 0.00 +0.055 A ATOM 35 C LIG 1 0.813 3.068 -2.359 0.00 0.00 +0.013 A ATOM 36 C LIG 1 0.613 1.937 -1.561 0.00 0.00 +0.006 A BRANCH 34 37 ATOM 37 C LIG 1 1.459 5.496 -2.658 0.00 0.00 +0.417 C ATOM 38 F LIG 1 2.445 6.317 -2.200 0.00 0.00 -0.166 F ATOM 39 F LIG 1 0.335 6.261 -2.724 0.00 0.00 -0.166 F ATOM 40 F LIG 1 1.789 5.202 -3.946 0.00 0.00 -0.166 F ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 2 30 TORSDOF 10