REMARK Name = BDB043741 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.500 0.898 -1.738 0.00 0.00 +0.159 C ENDROOT BRANCH 1 4 ATOM 2 N LIG 1 -1.638 0.750 -0.523 0.00 0.00 -0.308 N ATOM 3 H LIG 1 -1.483 1.739 -0.365 0.00 0.00 +0.149 HD ATOM 4 C LIG 1 -0.562 0.039 -1.018 0.00 0.00 +0.234 C ATOM 5 O LIG 1 -0.466 -1.188 -0.950 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 C LIG 1 -2.698 0.127 0.292 0.00 0.00 +0.102 C BRANCH 6 7 ATOM 7 C LIG 1 -2.107 -0.383 1.639 0.00 0.00 +0.146 C BRANCH 7 8 ATOM 8 O LIG 1 -1.282 0.631 2.235 0.00 0.00 -0.389 OA ATOM 9 H LIG 1 -1.847 1.380 2.503 0.00 0.00 +0.210 HD ENDBRANCH 7 8 BRANCH 7 10 ATOM 10 C LIG 1 -3.098 -0.911 2.672 0.00 0.00 +0.160 C BRANCH 10 11 ATOM 11 P LIG 1 -4.205 0.253 3.445 0.00 0.00 +0.335 P ATOM 12 O LIG 1 -5.067 -0.314 4.530 0.00 0.00 -0.258 OA BRANCH 11 14 ATOM 13 C LIG 1 -6.128 1.753 2.611 0.00 0.00 +0.204 C ATOM 14 O LIG 1 -5.037 0.929 2.245 0.00 0.00 -0.311 OA ENDBRANCH 11 14 BRANCH 11 15 ATOM 15 O LIG 1 -3.270 1.482 3.924 0.00 0.00 -0.311 OA ATOM 16 C LIG 1 -2.624 1.339 5.178 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 -3.427 -0.972 -0.521 0.00 0.00 +0.028 C BRANCH 17 18 ATOM 18 C LIG 1 -4.965 -0.983 -0.405 0.00 0.00 -0.009 C ATOM 19 C LIG 1 -5.600 0.254 -1.063 0.00 0.00 +0.003 C ATOM 20 C LIG 1 -7.126 0.205 -1.012 0.00 0.00 +0.000 C ATOM 21 C LIG 1 -7.669 -1.073 -1.638 0.00 0.00 +0.000 C ATOM 22 C LIG 1 -7.049 -2.312 -1.003 0.00 0.00 +0.000 C ATOM 23 C LIG 1 -5.523 -2.266 -1.050 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 1.705 0.081 -1.788 0.00 0.00 -0.302 N ATOM 25 H LIG 1 1.539 -0.920 -1.852 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 2.907 0.529 -1.273 0.00 0.00 +0.234 C ATOM 27 O LIG 1 3.084 1.704 -0.962 0.00 0.00 -0.274 OA BRANCH 26 28 ATOM 28 C LIG 1 3.980 -0.577 -1.142 0.00 0.00 +0.166 C BRANCH 28 29 ATOM 29 N LIG 1 5.336 -0.032 -1.150 0.00 0.00 -0.269 N ATOM 30 H LIG 1 5.879 -0.103 -1.999 0.00 0.00 +0.153 HD ATOM 31 C LIG 1 5.947 0.712 -0.187 0.00 0.00 +0.401 C ATOM 32 O LIG 1 7.078 1.147 -0.357 0.00 0.00 -0.226 OA BRANCH 31 33 ATOM 33 O LIG 1 5.188 0.881 0.916 0.00 0.00 -0.445 OA BRANCH 33 34 ATOM 34 C LIG 1 5.655 1.689 2.024 0.00 0.00 +0.107 C ATOM 35 C LIG 1 6.896 1.070 2.675 0.00 0.00 +0.055 C ATOM 36 C LIG 1 5.893 3.142 1.598 0.00 0.00 +0.055 C ATOM 37 C LIG 1 4.502 1.660 3.039 0.00 0.00 +0.055 C ENDBRANCH 33 34 ENDBRANCH 31 33 ENDBRANCH 28 29 BRANCH 28 38 ATOM 38 C LIG 1 3.651 -1.531 0.023 0.00 0.00 +0.067 C BRANCH 38 39 ATOM 39 C LIG 1 4.372 -2.855 -0.087 0.00 0.00 -0.045 A ATOM 40 C LIG 1 5.667 -3.007 0.424 0.00 0.00 +0.004 A ATOM 41 C LIG 1 6.336 -4.226 0.305 0.00 0.00 +0.000 A ATOM 42 C LIG 1 5.718 -5.303 -0.326 0.00 0.00 +0.000 A ATOM 43 C LIG 1 4.430 -5.163 -0.840 0.00 0.00 +0.000 A ATOM 44 C LIG 1 3.760 -3.945 -0.723 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 -0.020 1.288 -3.132 0.00 0.00 +0.034 C BRANCH 45 46 ATOM 46 C LIG 1 0.855 2.320 -3.875 0.00 0.00 -0.015 C ATOM 47 C LIG 1 2.007 1.665 -4.642 0.00 0.00 +0.007 C ATOM 48 C LIG 1 -0.007 3.114 -4.863 0.00 0.00 +0.007 C ENDBRANCH 45 46 ENDBRANCH 1 45 TORSDOF 19