REMARK Name = BDB063586 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.630 -1.512 -1.882 0.00 0.00 -0.220 N ATOM 2 C LIG 1 1.519 -0.560 -1.455 0.00 0.00 +0.316 C ATOM 3 O LIG 1 1.495 0.607 -1.817 0.00 0.00 -0.252 OA ATOM 4 N LIG 1 2.423 -1.176 -0.572 0.00 0.00 -0.246 N ATOM 5 C LIG 1 2.102 -2.578 -0.421 0.00 0.00 +0.211 C ATOM 6 C LIG 1 0.905 -2.724 -1.330 0.00 0.00 +0.241 C ATOM 7 O LIG 1 0.306 -3.772 -1.525 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 8 ATOM 8 C LIG 1 3.509 -0.569 0.113 0.00 0.00 +0.038 A ATOM 9 C LIG 1 3.816 0.788 -0.028 0.00 0.00 +0.024 A ATOM 10 C LIG 1 4.893 1.367 0.660 0.00 0.00 +0.010 A ATOM 11 C LIG 1 5.702 0.611 1.517 0.00 0.00 -0.018 A ATOM 12 C LIG 1 5.396 -0.747 1.660 0.00 0.00 +0.010 A ATOM 13 C LIG 1 4.321 -1.327 0.971 0.00 0.00 +0.024 A BRANCH 11 14 ATOM 14 C LIG 1 6.829 1.220 2.241 0.00 0.00 -0.018 A ATOM 15 C LIG 1 6.947 1.093 3.635 0.00 0.00 +0.008 A ATOM 16 C LIG 1 8.017 1.670 4.324 0.00 0.00 +0.001 A ATOM 17 C LIG 1 8.989 2.385 3.630 0.00 0.00 +0.000 A ATOM 18 C LIG 1 8.892 2.523 2.248 0.00 0.00 +0.001 A ATOM 19 C LIG 1 7.820 1.946 1.560 0.00 0.00 +0.008 A ENDBRANCH 11 14 ENDBRANCH 4 8 BRANCH 1 20 ATOM 20 C LIG 1 -0.478 -1.249 -2.770 0.00 0.00 +0.153 C BRANCH 20 27 ATOM 21 C LIG 1 -3.330 2.202 -0.494 0.00 0.00 +0.047 C ATOM 22 C LIG 1 -3.133 0.767 -0.893 0.00 0.00 -0.008 A ATOM 23 C LIG 1 -4.057 -0.240 -0.568 0.00 0.00 +0.128 A ATOM 24 C LIG 1 -3.771 -1.585 -0.851 0.00 0.00 -0.008 A ATOM 25 C LIG 1 -4.664 -2.711 -0.417 0.00 0.00 +0.047 C ATOM 26 C LIG 1 -2.619 -1.896 -1.591 0.00 0.00 +0.012 A ATOM 27 C LIG 1 -1.731 -0.896 -2.004 0.00 0.00 -0.029 A ATOM 28 C LIG 1 -1.989 0.430 -1.633 0.00 0.00 +0.012 A BRANCH 23 29 ATOM 29 O LIG 1 -5.197 0.072 0.125 0.00 0.00 -0.475 OA BRANCH 29 30 ATOM 30 C LIG 1 -6.325 0.461 -0.680 0.00 0.00 +0.200 C ATOM 31 C LIG 1 -7.446 -0.563 -0.421 0.00 0.00 +0.067 C ATOM 32 C LIG 1 -6.824 1.799 -0.100 0.00 0.00 +0.067 C BRANCH 30 33 ATOM 33 C LIG 1 -6.157 0.647 -2.213 0.00 0.00 +0.348 C ATOM 34 O LIG 1 -6.008 1.705 -2.809 0.00 0.00 -0.247 OA BRANCH 33 35 ATOM 35 O LIG 1 -6.168 -0.508 -2.913 0.00 0.00 -0.478 OA ATOM 36 H LIG 1 -5.971 -0.227 -3.831 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 30 33 ENDBRANCH 29 30 ENDBRANCH 23 29 ENDBRANCH 20 27 ENDBRANCH 1 20 TORSDOF 8