REMARK Name = BDB010576 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.277 0.629 -0.447 0.00 0.00 +0.199 A ATOM 2 N LIG 1 -0.101 0.757 -0.470 0.00 0.00 -0.309 N ATOM 3 C LIG 1 -0.400 2.082 -0.229 0.00 0.00 +0.115 A ATOM 4 C LIG 1 0.838 2.672 -0.026 0.00 0.00 +0.184 A ATOM 5 N LIG 1 1.020 3.970 0.263 0.00 0.00 -0.202 NA ATOM 6 C LIG 1 -0.127 4.654 0.343 0.00 0.00 +0.220 A ATOM 7 N LIG 1 -1.377 4.177 0.159 0.00 0.00 -0.221 NA ATOM 8 C LIG 1 -1.539 2.869 -0.139 0.00 0.00 +0.101 A ATOM 9 N LIG 1 1.849 1.774 -0.162 0.00 0.00 -0.195 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -0.022 6.093 0.663 0.00 0.00 +0.287 A ATOM 11 O LIG 1 1.238 6.571 0.842 0.00 0.00 -0.385 OA ATOM 12 C LIG 1 1.053 7.889 1.119 0.00 0.00 +0.436 A ATOM 13 O LIG 1 1.929 8.703 1.348 0.00 0.00 -0.221 OA ATOM 14 N LIG 1 -0.296 8.104 1.085 0.00 0.00 -0.208 N ATOM 15 H LIG 1 -0.754 8.990 1.252 0.00 0.00 +0.195 HD ATOM 16 N LIG 1 -0.979 6.966 0.796 0.00 0.00 -0.127 NA ENDBRANCH 6 10 BRANCH 8 17 ATOM 17 C LIG 1 -2.905 2.415 -0.346 0.00 0.00 +0.004 A ATOM 18 C LIG 1 -3.715 2.064 0.744 0.00 0.00 +0.030 A ATOM 19 C LIG 1 -5.021 1.619 0.538 0.00 0.00 +0.042 A ATOM 20 CL LIG 1 -5.986 1.157 1.885 0.00 0.00 -0.084 Cl ATOM 21 C LIG 1 -5.545 1.534 -0.750 0.00 0.00 +0.020 A ATOM 22 C LIG 1 -4.761 1.905 -1.840 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -3.451 2.346 -1.639 0.00 0.00 +0.010 A ENDBRANCH 8 17 BRANCH 1 24 ATOM 24 N LIG 1 1.895 -0.552 -0.668 0.00 0.00 -0.308 N ATOM 25 H LIG 1 1.456 -1.252 -1.255 0.00 0.00 +0.149 HD BRANCH 24 26 ATOM 26 C LIG 1 3.361 -0.589 -0.740 0.00 0.00 +0.103 C BRANCH 26 27 ATOM 27 C LIG 1 3.752 -1.810 -1.567 0.00 0.00 -0.027 A ATOM 28 C LIG 1 4.345 -1.639 -2.827 0.00 0.00 +0.005 A ATOM 29 C LIG 1 4.693 -2.744 -3.607 0.00 0.00 +0.000 A ATOM 30 C LIG 1 4.447 -4.034 -3.140 0.00 0.00 +0.000 A ATOM 31 C LIG 1 3.850 -4.221 -1.896 0.00 0.00 +0.000 A ATOM 32 C LIG 1 3.501 -3.118 -1.115 0.00 0.00 +0.005 A ENDBRANCH 26 27 BRANCH 26 34 ATOM 33 C LIG 1 5.484 -0.534 0.682 0.00 0.00 +0.006 C ATOM 34 C LIG 1 3.962 -0.607 0.682 0.00 0.00 +0.024 C ENDBRANCH 26 34 ENDBRANCH 24 26 ENDBRANCH 1 24 BRANCH 2 35 ATOM 35 C LIG 1 -1.055 -0.321 -0.675 0.00 0.00 +0.128 C BRANCH 35 36 ATOM 36 C LIG 1 -1.600 -0.924 0.636 0.00 0.00 +0.009 C ATOM 37 C LIG 1 -0.526 -1.752 1.371 0.00 0.00 +0.005 C ATOM 38 C LIG 1 -1.157 -2.769 2.313 0.00 0.00 +0.003 C ATOM 39 C LIG 1 -1.976 -3.815 1.537 0.00 0.00 -0.014 C ATOM 40 C LIG 1 -3.035 -4.437 2.448 0.00 0.00 +0.007 C ATOM 41 C LIG 1 -2.604 -3.237 0.255 0.00 0.00 +0.003 C ATOM 42 C LIG 1 -2.883 -1.742 0.376 0.00 0.00 +0.005 C ENDBRANCH 35 36 ENDBRANCH 2 35 TORSDOF 8