REMARK Name = BDB058320 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.461 -0.446 -0.963 0.00 0.00 +0.049 A ATOM 2 C LIG 1 2.171 -0.189 -1.652 0.00 0.00 +0.258 A ATOM 3 O LIG 1 2.021 0.866 -2.269 0.00 0.00 -0.267 OA ATOM 4 N LIG 1 1.201 -1.166 -1.542 0.00 0.00 -0.292 N ATOM 5 C LIG 1 1.505 -2.362 -0.937 0.00 0.00 +0.113 A ATOM 6 N LIG 1 2.655 -2.620 -0.400 0.00 0.00 -0.238 NA ATOM 7 C LIG 1 3.614 -1.643 -0.375 0.00 0.00 +0.049 A ATOM 8 C LIG 1 4.842 -2.039 0.404 0.00 0.00 +0.066 C ENDROOT BRANCH 1 9 ATOM 9 C LIG 1 4.442 0.692 -1.000 0.00 0.00 +0.163 C BRANCH 9 10 ATOM 10 C LIG 1 3.953 1.842 -0.138 0.00 0.00 +0.313 C ATOM 11 O LIG 1 3.075 1.773 0.712 0.00 0.00 -0.250 OA BRANCH 10 12 ATOM 12 O LIG 1 4.681 2.957 -0.429 0.00 0.00 -0.451 OA BRANCH 12 13 ATOM 13 C LIG 1 4.359 4.123 0.338 0.00 0.00 +0.320 C BRANCH 13 16 ATOM 14 C LIG 1 6.933 4.430 3.556 0.00 0.00 +0.106 C ATOM 15 C LIG 1 6.023 4.325 2.415 0.00 0.00 -0.102 C ATOM 16 C LIG 1 5.274 4.236 1.480 0.00 0.00 -0.062 C ENDBRANCH 13 16 ENDBRANCH 12 13 ENDBRANCH 10 12 ENDBRANCH 9 10 ENDBRANCH 1 9 BRANCH 4 17 ATOM 17 C LIG 1 -0.116 -0.850 -2.100 0.00 0.00 +0.161 C BRANCH 17 18 ATOM 18 C LIG 1 -1.113 -0.383 -1.055 0.00 0.00 -0.028 A ATOM 19 C LIG 1 -0.788 0.615 -0.126 0.00 0.00 +0.006 A ATOM 20 C LIG 1 -1.725 1.045 0.818 0.00 0.00 +0.009 A ATOM 21 C LIG 1 -3.018 0.505 0.847 0.00 0.00 -0.017 A ATOM 22 C LIG 1 -3.344 -0.490 -0.086 0.00 0.00 +0.009 A ATOM 23 C LIG 1 -2.408 -0.920 -1.032 0.00 0.00 +0.006 A BRANCH 21 24 ATOM 24 C LIG 1 -4.009 0.979 1.825 0.00 0.00 -0.007 A ATOM 25 C LIG 1 -5.189 1.674 1.479 0.00 0.00 +0.028 A ATOM 26 C LIG 1 -6.119 2.023 2.475 0.00 0.00 +0.012 A ATOM 27 C LIG 1 -5.878 1.716 3.814 0.00 0.00 +0.001 A ATOM 28 C LIG 1 -4.711 1.053 4.171 0.00 0.00 +0.001 A ATOM 29 C LIG 1 -3.790 0.686 3.188 0.00 0.00 +0.009 A BRANCH 25 30 ATOM 30 C LIG 1 -5.538 2.082 0.102 0.00 0.00 +0.183 A ATOM 31 N LIG 1 -4.605 2.422 -0.797 0.00 0.00 -0.271 N ATOM 32 H LIG 1 -3.604 2.434 -0.712 0.00 0.00 +0.174 HD ATOM 33 C LIG 1 -5.251 2.740 -1.928 0.00 0.00 +0.440 A ATOM 34 O LIG 1 -4.732 3.080 -2.979 0.00 0.00 -0.221 OA ATOM 35 O LIG 1 -6.599 2.614 -1.708 0.00 0.00 -0.295 OA ATOM 36 N LIG 1 -6.745 2.183 -0.352 0.00 0.00 -0.054 NA ENDBRANCH 25 30 ENDBRANCH 21 24 ENDBRANCH 17 18 ENDBRANCH 4 17 BRANCH 5 37 ATOM 37 C LIG 1 0.486 -3.493 -0.914 0.00 0.00 +0.074 C BRANCH 37 38 ATOM 38 C LIG 1 0.604 -4.345 -2.179 0.00 0.00 +0.007 C BRANCH 38 39 ATOM 39 C LIG 1 -0.373 -5.522 -2.206 0.00 0.00 -0.003 C ATOM 40 C LIG 1 -1.829 -5.095 -2.310 0.00 0.00 +0.004 C ENDBRANCH 38 39 ENDBRANCH 37 38 ENDBRANCH 5 37 TORSDOF 12