REMARK Name = BDB035305 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.029 -1.516 0.163 0.00 0.00 +0.238 A ATOM 2 N LIG 1 -2.598 -2.489 -0.580 0.00 0.00 -0.216 NA ATOM 3 C LIG 1 -3.929 -2.470 -0.811 0.00 0.00 +0.050 A ATOM 4 C LIG 1 -4.706 -1.457 -0.285 0.00 0.00 +0.052 A ATOM 5 C LIG 1 -4.068 -0.482 0.451 0.00 0.00 +0.077 A ATOM 6 N LIG 1 -2.745 -0.516 0.684 0.00 0.00 -0.212 NA ENDROOT BRANCH 1 14 ATOM 7 C LIG 1 3.594 -0.503 1.880 0.00 0.00 +0.031 A ATOM 8 N LIG 1 2.323 0.021 1.973 0.00 0.00 -0.353 N ATOM 9 H LIG 1 2.056 0.866 2.464 0.00 0.00 +0.166 HD ATOM 10 C LIG 1 1.448 -0.776 1.284 0.00 0.00 +0.113 A ATOM 11 C LIG 1 2.164 -1.815 0.742 0.00 0.00 +0.010 A ATOM 12 C LIG 1 1.469 -2.788 -0.038 0.00 0.00 -0.018 A ATOM 13 C LIG 1 0.131 -2.647 -0.176 0.00 0.00 +0.102 A ATOM 14 N LIG 1 -0.614 -1.584 0.377 0.00 0.00 -0.250 N ATOM 15 C LIG 1 0.021 -0.574 1.143 0.00 0.00 +0.282 A ATOM 16 O LIG 1 -0.503 0.403 1.670 0.00 0.00 -0.265 OA ATOM 17 C LIG 1 3.514 -1.658 1.117 0.00 0.00 +0.033 A BRANCH 12 18 ATOM 18 C LIG 1 2.252 -3.905 -0.600 0.00 0.00 +0.021 C ATOM 19 C LIG 1 3.265 -3.631 -1.686 0.00 0.00 +0.009 C ATOM 20 C LIG 1 2.006 -4.371 -2.016 0.00 0.00 +0.009 C ENDBRANCH 12 18 BRANCH 7 21 ATOM 21 C LIG 1 4.768 0.151 2.536 0.00 0.00 +0.137 C BRANCH 21 25 ATOM 22 C LIG 1 5.742 3.444 -1.040 0.00 0.00 +0.009 C ATOM 23 C LIG 1 6.322 2.478 -0.009 0.00 0.00 +0.000 C ATOM 24 C LIG 1 5.219 1.641 0.655 0.00 0.00 +0.088 C ATOM 25 N LIG 1 5.761 0.606 1.555 0.00 0.00 -0.296 NA ATOM 26 C LIG 1 7.026 0.988 2.197 0.00 0.00 +0.085 C ATOM 27 C LIG 1 7.184 2.493 2.388 0.00 0.00 +0.016 C ATOM 28 C LIG 1 7.133 3.237 1.054 0.00 0.00 +0.006 C ENDBRANCH 21 25 ENDBRANCH 7 21 ENDBRANCH 1 14 BRANCH 5 29 ATOM 29 C LIG 1 -4.774 0.665 1.044 0.00 0.00 +0.013 A ATOM 30 C LIG 1 -5.627 1.516 0.309 0.00 0.00 +0.049 A ATOM 31 C LIG 1 -6.338 2.552 0.928 0.00 0.00 +0.052 A ATOM 32 C LIG 1 -6.163 2.777 2.285 0.00 0.00 +0.124 A ATOM 33 F LIG 1 -6.829 3.776 2.879 0.00 0.00 -0.205 F ATOM 34 C LIG 1 -5.298 1.991 3.033 0.00 0.00 +0.039 A ATOM 35 C LIG 1 -4.609 0.943 2.417 0.00 0.00 +0.013 A BRANCH 30 36 ATOM 36 C LIG 1 -5.809 1.370 -1.150 0.00 0.00 +0.248 C ATOM 37 N LIG 1 -4.700 1.541 -1.933 0.00 0.00 -0.292 N ATOM 38 C LIG 1 -3.430 2.208 -1.696 0.00 0.00 +0.146 C ATOM 39 C LIG 1 -3.531 2.735 -3.139 0.00 0.00 +0.200 C ATOM 40 F LIG 1 -2.419 2.615 -3.901 0.00 0.00 -0.242 F ATOM 41 C LIG 1 -4.636 1.693 -3.377 0.00 0.00 +0.146 C ATOM 42 O LIG 1 -6.924 1.107 -1.585 0.00 0.00 -0.270 OA ENDBRANCH 30 36 ENDBRANCH 5 29 BRANCH 3 43 ATOM 43 C LIG 1 -4.489 -3.592 -1.663 0.00 0.00 +0.038 C ATOM 44 C LIG 1 -5.591 -3.345 -2.667 0.00 0.00 +0.010 C ATOM 45 C LIG 1 -5.869 -4.161 -1.437 0.00 0.00 +0.010 C ENDBRANCH 3 43 TORSDOF 7