REMARK Name = BDB043743 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.546 -0.587 -0.006 0.00 0.00 +0.165 C ENDROOT BRANCH 1 4 ATOM 2 N LIG 1 -1.614 0.619 0.131 0.00 0.00 -0.308 N ATOM 3 H LIG 1 -1.897 -0.222 0.638 0.00 0.00 +0.149 HD ATOM 4 C LIG 1 -0.364 0.585 -0.444 0.00 0.00 +0.234 C ATOM 5 O LIG 1 0.008 1.405 -1.284 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 C LIG 1 -2.645 1.569 -0.281 0.00 0.00 +0.102 C BRANCH 6 7 ATOM 7 C LIG 1 -3.580 1.977 0.891 0.00 0.00 +0.146 C BRANCH 7 8 ATOM 8 O LIG 1 -4.490 2.986 0.432 0.00 0.00 -0.389 OA ATOM 9 H LIG 1 -4.987 3.330 1.204 0.00 0.00 +0.210 HD ENDBRANCH 7 8 BRANCH 7 10 ATOM 10 C LIG 1 -4.384 0.843 1.509 0.00 0.00 +0.160 C BRANCH 10 11 ATOM 11 P LIG 1 -5.017 1.300 3.119 0.00 0.00 +0.335 P ATOM 12 O LIG 1 -5.867 2.536 3.082 0.00 0.00 -0.258 OA BRANCH 11 14 ATOM 13 C LIG 1 -7.137 -0.174 3.271 0.00 0.00 +0.204 C ATOM 14 O LIG 1 -5.783 -0.020 3.648 0.00 0.00 -0.311 OA ENDBRANCH 11 14 BRANCH 11 15 ATOM 15 O LIG 1 -3.749 1.424 4.102 0.00 0.00 -0.311 OA ATOM 16 C LIG 1 -2.852 0.348 4.263 0.00 0.00 +0.204 C ENDBRANCH 11 15 ENDBRANCH 10 11 ENDBRANCH 7 10 ENDBRANCH 6 7 BRANCH 6 17 ATOM 17 C LIG 1 -3.355 1.124 -1.584 0.00 0.00 +0.028 C BRANCH 17 18 ATOM 18 C LIG 1 -3.913 -0.324 -1.589 0.00 0.00 -0.009 C ATOM 19 C LIG 1 -3.176 -1.213 -2.602 0.00 0.00 +0.003 C ATOM 20 C LIG 1 -3.401 -0.787 -4.058 0.00 0.00 +0.000 C ATOM 21 C LIG 1 -4.749 -0.107 -4.297 0.00 0.00 +0.000 C ATOM 22 C LIG 1 -5.811 -0.603 -3.328 0.00 0.00 +0.000 C ATOM 23 C LIG 1 -5.433 -0.360 -1.865 0.00 0.00 +0.003 C ENDBRANCH 17 18 ENDBRANCH 6 17 ENDBRANCH 2 6 ENDBRANCH 1 4 BRANCH 1 24 ATOM 24 N LIG 1 1.866 -0.313 -0.586 0.00 0.00 -0.302 N ATOM 25 H LIG 1 1.891 0.394 -1.323 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 2.901 -1.215 -0.537 0.00 0.00 +0.234 C ATOM 27 O LIG 1 2.828 -2.258 0.107 0.00 0.00 -0.274 OA BRANCH 26 28 ATOM 28 C LIG 1 4.141 -0.838 -1.384 0.00 0.00 +0.163 C BRANCH 28 29 ATOM 29 N LIG 1 4.047 0.490 -2.018 0.00 0.00 -0.304 N ATOM 30 H LIG 1 4.030 0.503 -3.033 0.00 0.00 +0.149 HD ATOM 31 C LIG 1 4.238 1.743 -1.514 0.00 0.00 +0.214 C ATOM 32 O LIG 1 4.330 2.662 -2.324 0.00 0.00 -0.276 OA BRANCH 31 33 ATOM 33 C LIG 1 4.351 1.931 -0.005 0.00 0.00 +0.102 C BRANCH 33 34 ATOM 34 C LIG 1 4.116 3.369 0.529 0.00 0.00 -0.029 C ATOM 35 C LIG 1 5.228 4.331 0.073 0.00 0.00 +0.011 C ATOM 36 C LIG 1 4.146 3.310 2.073 0.00 0.00 +0.011 C ATOM 37 C LIG 1 2.743 3.912 0.099 0.00 0.00 +0.011 C ENDBRANCH 33 34 ENDBRANCH 31 33 ENDBRANCH 28 29 BRANCH 28 38 ATOM 38 C LIG 1 5.456 -1.051 -0.613 0.00 0.00 +0.067 C BRANCH 38 39 ATOM 39 C LIG 1 6.093 -2.397 -0.872 0.00 0.00 -0.045 A ATOM 40 C LIG 1 5.798 -3.500 -0.060 0.00 0.00 +0.004 A ATOM 41 C LIG 1 6.391 -4.739 -0.308 0.00 0.00 +0.000 A ATOM 42 C LIG 1 7.282 -4.887 -1.367 0.00 0.00 +0.000 A ATOM 43 C LIG 1 7.580 -3.798 -2.184 0.00 0.00 +0.000 A ATOM 44 C LIG 1 6.987 -2.559 -1.940 0.00 0.00 +0.004 A ENDBRANCH 38 39 ENDBRANCH 28 38 ENDBRANCH 26 28 ENDBRANCH 1 24 BRANCH 1 45 ATOM 45 C LIG 1 0.582 -0.740 1.524 0.00 0.00 +0.088 C BRANCH 45 46 ATOM 46 C LIG 1 -0.390 -1.778 1.992 0.00 0.00 +0.061 A ATOM 47 N LIG 1 -1.735 -1.675 1.699 0.00 0.00 -0.241 NA ATOM 48 C LIG 1 -2.288 -2.751 2.212 0.00 0.00 +0.196 A ATOM 49 N LIG 1 -1.361 -3.549 2.823 0.00 0.00 -0.351 N ATOM 50 H LIG 1 -1.547 -4.429 3.284 0.00 0.00 +0.166 HD ATOM 51 C LIG 1 -0.146 -2.937 2.695 0.00 0.00 +0.107 A ENDBRANCH 45 46 ENDBRANCH 1 45 TORSDOF 19