REMARK Name = BDB058307 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.652 -0.493 -1.297 0.00 0.00 +0.049 A ATOM 2 C LIG 1 -1.232 -0.636 -1.712 0.00 0.00 +0.258 A ATOM 3 O LIG 1 -0.779 0.122 -2.571 0.00 0.00 -0.267 OA ATOM 4 N LIG 1 -0.503 -1.641 -1.105 0.00 0.00 -0.292 N ATOM 5 C LIG 1 -1.149 -2.564 -0.322 0.00 0.00 +0.113 A ATOM 6 N LIG 1 -2.405 -2.489 -0.018 0.00 0.00 -0.238 NA ATOM 7 C LIG 1 -3.143 -1.417 -0.452 0.00 0.00 +0.055 A ENDROOT BRANCH 7 8 ATOM 8 C LIG 1 -4.562 -1.375 0.114 0.00 0.00 +0.032 C ATOM 9 C LIG 1 -5.422 -2.486 -0.494 0.00 0.00 +0.014 C ATOM 10 C LIG 1 -4.566 -1.467 1.644 0.00 0.00 +0.014 C ENDBRANCH 7 8 BRANCH 1 11 ATOM 11 C LIG 1 -3.363 0.694 -1.885 0.00 0.00 +0.163 C BRANCH 11 12 ATOM 12 C LIG 1 -2.880 1.974 -1.231 0.00 0.00 +0.313 C ATOM 13 O LIG 1 -2.420 2.060 -0.100 0.00 0.00 -0.250 OA BRANCH 12 14 ATOM 14 O LIG 1 -3.099 3.022 -2.073 0.00 0.00 -0.451 OA BRANCH 14 15 ATOM 15 C LIG 1 -2.722 4.308 -1.567 0.00 0.00 +0.320 C BRANCH 15 18 ATOM 16 C LIG 1 -6.033 6.201 0.022 0.00 0.00 +0.106 C ATOM 17 C LIG 1 -4.860 5.536 -0.544 0.00 0.00 -0.102 C ATOM 18 C LIG 1 -3.897 4.985 -1.006 0.00 0.00 -0.062 C ENDBRANCH 15 18 ENDBRANCH 14 15 ENDBRANCH 12 14 ENDBRANCH 11 12 ENDBRANCH 1 11 BRANCH 4 19 ATOM 19 C LIG 1 0.930 -1.669 -1.400 0.00 0.00 +0.161 C BRANCH 19 20 ATOM 20 C LIG 1 1.701 -0.635 -0.602 0.00 0.00 -0.028 A ATOM 21 C LIG 1 1.998 -0.834 0.752 0.00 0.00 +0.006 A ATOM 22 C LIG 1 2.699 0.135 1.477 0.00 0.00 +0.009 A ATOM 23 C LIG 1 3.120 1.324 0.868 0.00 0.00 -0.017 A ATOM 24 C LIG 1 2.815 1.526 -0.484 0.00 0.00 +0.009 A ATOM 25 C LIG 1 2.114 0.560 -1.210 0.00 0.00 +0.006 A BRANCH 23 26 ATOM 26 C LIG 1 3.841 2.346 1.635 0.00 0.00 -0.007 A ATOM 27 C LIG 1 5.244 2.476 1.622 0.00 0.00 +0.028 A ATOM 28 C LIG 1 5.874 3.507 2.339 0.00 0.00 +0.012 A ATOM 29 C LIG 1 5.115 4.414 3.078 0.00 0.00 +0.001 A ATOM 30 C LIG 1 3.728 4.297 3.103 0.00 0.00 +0.001 A ATOM 31 C LIG 1 3.099 3.274 2.389 0.00 0.00 +0.009 A BRANCH 27 32 ATOM 32 C LIG 1 6.096 1.542 0.876 0.00 0.00 +0.183 A ATOM 33 N LIG 1 7.049 2.015 0.063 0.00 0.00 -0.271 N ATOM 34 H LIG 1 7.262 2.965 -0.183 0.00 0.00 +0.174 HD ATOM 35 C LIG 1 7.638 0.948 -0.495 0.00 0.00 +0.440 A ATOM 36 O LIG 1 8.534 0.982 -1.324 0.00 0.00 -0.221 OA ATOM 37 O LIG 1 7.063 -0.188 0.017 0.00 0.00 -0.295 OA ATOM 38 N LIG 1 6.042 0.253 0.918 0.00 0.00 -0.054 NA ENDBRANCH 27 32 ENDBRANCH 23 26 ENDBRANCH 19 20 ENDBRANCH 4 19 BRANCH 5 39 ATOM 39 C LIG 1 -0.417 -3.796 0.191 0.00 0.00 +0.074 C BRANCH 39 40 ATOM 40 C LIG 1 -0.399 -4.889 -0.877 0.00 0.00 +0.007 C BRANCH 40 41 ATOM 41 C LIG 1 0.351 -6.128 -0.390 0.00 0.00 -0.003 C ATOM 42 C LIG 1 0.366 -7.222 -1.446 0.00 0.00 +0.004 C ENDBRANCH 40 41 ENDBRANCH 39 40 ENDBRANCH 5 39 TORSDOF 13