REMARK Name = BDB008745 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.641 1.184 0.933 0.00 0.00 +0.127 A ATOM 2 N LIG 1 -0.374 1.204 0.497 0.00 0.00 -0.224 NA ATOM 3 C LIG 1 0.235 0.026 0.265 0.00 0.00 +0.116 A ATOM 4 C LIG 1 -0.378 -1.204 0.419 0.00 0.00 +0.047 A ATOM 5 C LIG 1 -1.710 -1.230 0.834 0.00 0.00 +0.008 A ATOM 6 C LIG 1 -2.336 -0.007 1.114 0.00 0.00 +0.054 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -2.425 -2.484 1.018 0.00 0.00 +0.100 A ATOM 8 C LIG 1 -2.705 -3.413 0.024 0.00 0.00 +0.113 A ATOM 9 C LIG 1 -3.350 -4.590 0.369 0.00 0.00 +0.115 A ATOM 10 C LIG 1 -3.464 -5.328 -0.831 0.00 0.00 +0.086 A ATOM 11 N LIG 1 -2.945 -4.660 -1.870 0.00 0.00 -0.174 NA ATOM 12 C LIG 1 -4.056 -6.673 -1.012 0.00 0.00 +0.070 C ATOM 13 N LIG 1 -3.744 -4.887 1.625 0.00 0.00 -0.229 NA ATOM 14 C LIG 1 -3.481 -3.926 2.521 0.00 0.00 +0.127 A ATOM 15 C LIG 1 -3.879 -4.191 3.941 0.00 0.00 +0.088 C ATOM 16 N LIG 1 -2.526 -3.494 -1.332 0.00 0.00 -0.263 N ATOM 17 C LIG 1 -1.996 -2.490 -2.225 0.00 0.00 +0.173 C ATOM 18 N LIG 1 -2.851 -2.758 2.274 0.00 0.00 -0.230 NA ENDBRANCH 5 7 BRANCH 1 20 ATOM 19 C LIG 1 -1.803 3.651 1.085 0.00 0.00 +0.235 C ATOM 20 N LIG 1 -2.321 2.374 1.227 0.00 0.00 -0.269 N ATOM 21 H LIG 1 -3.263 2.284 1.578 0.00 0.00 +0.156 HD ATOM 22 O LIG 1 -0.689 3.954 0.664 0.00 0.00 -0.274 OA BRANCH 19 23 ATOM 23 C LIG 1 -2.805 4.740 1.546 0.00 0.00 +0.137 C ATOM 24 C LIG 1 -2.762 4.843 3.069 0.00 0.00 +0.034 C BRANCH 23 26 ATOM 25 C LIG 1 -2.827 6.142 -0.440 0.00 0.00 +0.101 C ATOM 26 N LIG 1 -2.464 6.058 0.971 0.00 0.00 -0.309 NA ATOM 27 H LIG 1 -1.444 6.156 1.036 0.00 0.00 +0.122 HD ENDBRANCH 23 26 ENDBRANCH 19 23 ENDBRANCH 1 20 BRANCH 3 28 ATOM 28 C LIG 1 1.588 0.127 -0.175 0.00 0.00 -0.041 C ATOM 29 C LIG 1 2.726 0.228 -0.547 0.00 0.00 -0.060 C BRANCH 29 30 ATOM 30 C LIG 1 4.077 0.377 -0.994 0.00 0.00 +0.026 A ATOM 31 C LIG 1 4.584 1.661 -1.231 0.00 0.00 +0.028 A ATOM 32 C LIG 1 5.912 1.795 -1.673 0.00 0.00 +0.021 A ATOM 33 C LIG 1 6.763 2.868 -2.013 0.00 0.00 +0.143 A ATOM 34 N LIG 1 7.979 2.465 -2.391 0.00 0.00 -0.179 NA ATOM 35 N LIG 1 7.911 1.123 -2.284 0.00 0.00 -0.267 N ATOM 36 C LIG 1 9.068 0.327 -2.619 0.00 0.00 +0.173 C ATOM 37 C LIG 1 6.690 0.655 -1.861 0.00 0.00 +0.069 A ATOM 38 C LIG 1 6.200 -0.637 -1.629 0.00 0.00 +0.029 A ATOM 39 C LIG 1 4.875 -0.753 -1.190 0.00 0.00 +0.019 A ENDBRANCH 29 30 ENDBRANCH 3 28 TORSDOF 6