REMARK Name = BDB046889 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -4.108 0.026 -0.109 0.00 0.00 -0.220 N ATOM 2 N LIG 1 -4.045 0.646 -1.316 0.00 0.00 -0.173 NA ATOM 3 C LIG 1 -2.790 0.484 -1.728 0.00 0.00 +0.138 A ATOM 4 C LIG 1 -1.998 -0.230 -0.810 0.00 0.00 -0.008 A ATOM 5 C LIG 1 -2.870 -0.512 0.218 0.00 0.00 +0.120 A ENDROOT BRANCH 1 10 ATOM 6 O LIG 1 -9.848 0.799 1.638 0.00 0.00 -0.267 OA ATOM 7 C LIG 1 -8.880 0.902 0.893 0.00 0.00 +0.259 A ATOM 8 C LIG 1 -7.563 0.335 1.240 0.00 0.00 +0.070 A ATOM 9 C LIG 1 -6.508 0.501 0.330 0.00 0.00 +0.122 A ATOM 10 C LIG 1 -5.281 -0.060 0.716 0.00 0.00 +0.180 A ATOM 11 N LIG 1 -5.113 -0.730 1.908 0.00 0.00 -0.234 NA ATOM 12 C LIG 1 -6.168 -0.853 2.736 0.00 0.00 +0.114 A ATOM 13 N LIG 1 -6.719 1.194 -0.880 0.00 0.00 -0.233 NA ATOM 14 C LIG 1 -7.884 1.669 -1.140 0.00 0.00 +0.200 A ATOM 15 C LIG 1 -7.410 -0.340 2.450 0.00 0.00 +0.035 A ATOM 16 N LIG 1 -8.954 1.549 -0.309 0.00 0.00 -0.313 N ATOM 17 H LIG 1 -9.851 1.941 -0.559 0.00 0.00 +0.170 HD ENDBRANCH 1 10 BRANCH 4 18 ATOM 18 C LIG 1 -0.556 -0.594 -0.928 0.00 0.00 +0.053 C BRANCH 18 19 ATOM 19 C LIG 1 0.364 0.492 -0.343 0.00 0.00 +0.089 C BRANCH 19 20 ATOM 20 N LIG 1 1.803 0.238 -0.571 0.00 0.00 -0.302 NA ATOM 21 C LIG 1 2.287 -0.905 0.220 0.00 0.00 +0.085 C ATOM 22 C LIG 1 3.768 -1.182 -0.049 0.00 0.00 +0.023 C ATOM 23 C LIG 1 4.621 0.062 0.231 0.00 0.00 +0.021 C ATOM 24 C LIG 1 4.064 1.260 -0.547 0.00 0.00 +0.023 C ATOM 25 C LIG 1 2.575 1.452 -0.257 0.00 0.00 +0.085 C BRANCH 23 26 ATOM 26 C LIG 1 6.094 -0.175 -0.053 0.00 0.00 -0.044 A ATOM 27 C LIG 1 7.029 -0.078 0.989 0.00 0.00 +0.005 A ATOM 28 C LIG 1 8.389 -0.292 0.750 0.00 0.00 +0.020 A ATOM 29 C LIG 1 8.825 -0.605 -0.535 0.00 0.00 +0.041 A ATOM 30 CL LIG 1 10.500 -0.868 -0.829 0.00 0.00 -0.084 Cl ATOM 31 C LIG 1 7.913 -0.705 -1.581 0.00 0.00 +0.020 A ATOM 32 C LIG 1 6.554 -0.491 -1.341 0.00 0.00 +0.005 A ENDBRANCH 23 26 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 4 18 TORSDOF 5