REMARK Name = BDB027149 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.109 -0.249 -2.391 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.728 0.106 -3.822 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -1.128 1.340 -4.363 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.788 1.688 -5.671 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.056 0.804 -6.460 0.00 0.00 +0.000 A ATOM 6 C LIG 1 0.328 -0.433 -5.947 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.011 -0.784 -4.639 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 0.079 -0.902 -1.627 0.00 0.00 +0.188 C ATOM 9 O LIG 1 0.128 -2.126 -1.466 0.00 0.00 -0.290 OA BRANCH 8 14 ATOM 10 C LIG 1 4.587 -0.405 1.244 0.00 0.00 +0.003 A ATOM 11 C LIG 1 4.111 0.740 0.710 0.00 0.00 +0.121 A ATOM 12 N LIG 1 2.948 0.754 -0.058 0.00 0.00 -0.239 N ATOM 13 C LIG 1 2.208 -0.398 -0.321 0.00 0.00 +0.077 A ATOM 14 C LIG 1 1.131 -0.030 -1.108 0.00 0.00 +0.064 A ATOM 15 C LIG 1 1.307 1.359 -1.275 0.00 0.00 +0.146 A ATOM 16 C LIG 1 2.682 -1.619 0.237 0.00 0.00 +0.029 A ATOM 17 N LIG 1 2.375 1.839 -0.639 0.00 0.00 -0.174 NA ATOM 18 C LIG 1 3.806 -1.621 0.977 0.00 0.00 +0.012 A BRANCH 10 23 ATOM 19 C LIG 1 8.432 0.790 4.141 0.00 0.00 +0.172 C ATOM 20 N LIG 1 7.485 0.079 3.316 0.00 0.00 -0.274 N ATOM 21 N LIG 1 7.660 -1.234 3.089 0.00 0.00 -0.179 NA ATOM 22 C LIG 1 6.627 -1.557 2.306 0.00 0.00 +0.143 A ATOM 23 C LIG 1 5.784 -0.455 2.033 0.00 0.00 +0.021 A ATOM 24 C LIG 1 6.377 0.593 2.706 0.00 0.00 +0.116 A ENDBRANCH 10 23 ENDBRANCH 8 14 ENDBRANCH 1 8 BRANCH 1 25 ATOM 25 N LIG 1 -2.292 -1.148 -2.409 0.00 0.00 -0.303 NA ATOM 26 H LIG 1 -1.941 -2.081 -2.645 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 -2.977 -1.234 -1.113 0.00 0.00 +0.086 C BRANCH 27 28 ATOM 28 C LIG 1 -3.896 -0.032 -0.851 0.00 0.00 +0.050 C BRANCH 28 29 ATOM 29 C LIG 1 -4.627 -0.168 0.464 0.00 0.00 -0.046 A ATOM 30 C LIG 1 -5.868 -0.816 0.520 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -6.535 -0.963 1.738 0.00 0.00 +0.013 A ATOM 32 C LIG 1 -5.973 -0.458 2.916 0.00 0.00 +0.037 A ATOM 33 C LIG 1 -4.725 0.174 2.869 0.00 0.00 +0.013 A ATOM 34 C LIG 1 -4.058 0.318 1.649 0.00 0.00 +0.004 A BRANCH 32 35 ATOM 35 C LIG 1 -6.722 -0.639 4.189 0.00 0.00 +0.242 C ATOM 36 O LIG 1 -7.587 -1.496 4.312 0.00 0.00 -0.270 OA ATOM 37 N LIG 1 -6.438 0.219 5.216 0.00 0.00 -0.325 N ATOM 38 H LIG 1 -5.969 1.100 5.060 0.00 0.00 +0.145 HD ATOM 39 H LIG 1 -7.055 0.159 6.016 0.00 0.00 +0.145 HD ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 9