REMARK Name = BDB008282 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.240 -0.039 -0.333 0.00 0.00 +0.128 A ATOM 2 N LIG 1 0.339 0.870 -0.741 0.00 0.00 -0.217 NA ATOM 3 C LIG 1 -0.828 0.973 -0.083 0.00 0.00 +0.128 A ATOM 4 C LIG 1 -1.134 0.168 1.007 0.00 0.00 +0.052 A ATOM 5 C LIG 1 -0.216 -0.799 1.423 0.00 0.00 -0.011 A ATOM 6 C LIG 1 0.997 -0.890 0.739 0.00 0.00 +0.052 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -0.493 -1.650 2.589 0.00 0.00 -0.010 A ATOM 8 C LIG 1 -1.151 -2.933 2.522 0.00 0.00 -0.004 A ATOM 9 C LIG 1 -1.338 -3.605 3.761 0.00 0.00 +0.001 A ATOM 10 C LIG 1 -1.970 -4.849 3.776 0.00 0.00 +0.119 A ATOM 11 N LIG 1 -2.435 -5.493 2.691 0.00 0.00 -0.262 NA ATOM 12 C LIG 1 -2.260 -4.866 1.517 0.00 0.00 +0.114 A ATOM 13 C LIG 1 -0.906 -3.053 4.978 0.00 0.00 +0.010 A ATOM 14 C LIG 1 -0.275 -1.820 5.017 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -1.643 -3.619 1.359 0.00 0.00 -0.024 A ATOM 16 C LIG 1 -1.550 -3.097 -0.048 0.00 0.00 +0.046 C ATOM 17 C LIG 1 -0.071 -1.128 3.834 0.00 0.00 +0.009 A ENDBRANCH 5 7 BRANCH 1 19 ATOM 18 C LIG 1 2.984 0.607 -1.984 0.00 0.00 +0.235 C ATOM 19 N LIG 1 2.461 -0.199 -0.991 0.00 0.00 -0.269 N ATOM 20 H LIG 1 3.102 -0.916 -0.669 0.00 0.00 +0.156 HD ATOM 21 O LIG 1 2.522 1.653 -2.421 0.00 0.00 -0.274 OA BRANCH 18 22 ATOM 22 C LIG 1 4.281 -0.015 -2.558 0.00 0.00 +0.137 C ATOM 23 C LIG 1 5.063 0.966 -3.428 0.00 0.00 +0.034 C BRANCH 22 25 ATOM 24 C LIG 1 5.724 0.320 -0.587 0.00 0.00 +0.101 C ATOM 25 N LIG 1 5.091 -0.654 -1.478 0.00 0.00 -0.309 NA ATOM 26 H LIG 1 5.836 -1.190 -1.930 0.00 0.00 +0.122 HD ENDBRANCH 22 25 ENDBRANCH 18 22 ENDBRANCH 1 19 BRANCH 3 27 ATOM 27 N LIG 1 -1.801 1.900 -0.465 0.00 0.00 -0.265 N ATOM 28 H LIG 1 -2.658 1.954 0.076 0.00 0.00 +0.157 HD ATOM 29 C LIG 1 -1.746 2.762 -1.537 0.00 0.00 +0.268 C ATOM 30 O LIG 1 -0.867 2.881 -2.377 0.00 0.00 -0.268 OA BRANCH 29 31 ATOM 31 C LIG 1 -2.965 3.632 -1.628 0.00 0.00 +0.126 A ATOM 32 N LIG 1 -3.943 3.397 -0.701 0.00 0.00 -0.249 NA ATOM 33 C LIG 1 -5.045 4.186 -0.786 0.00 0.00 +0.131 A ATOM 34 C LIG 1 -5.212 5.189 -1.732 0.00 0.00 +0.059 A ATOM 35 CL LIG 1 -6.637 6.146 -1.756 0.00 0.00 -0.082 Cl ATOM 36 C LIG 1 -4.199 5.404 -2.660 0.00 0.00 +0.024 A ATOM 37 C LIG 1 -3.054 4.610 -2.614 0.00 0.00 +0.034 A ENDBRANCH 29 31 ENDBRANCH 3 27 TORSDOF 6