REMARK Name = BDB010564 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.792 -1.809 0.599 0.00 0.00 +0.202 A ATOM 2 N LIG 1 0.132 -0.788 0.748 0.00 0.00 -0.308 N ATOM 3 C LIG 1 1.277 -1.165 0.076 0.00 0.00 +0.115 A ATOM 4 C LIG 1 0.906 -2.331 -0.577 0.00 0.00 +0.184 A ATOM 5 N LIG 1 1.703 -3.019 -1.410 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 2.906 -2.461 -1.553 0.00 0.00 +0.202 A ATOM 7 N LIG 1 3.378 -1.342 -0.955 0.00 0.00 -0.222 NA ATOM 8 C LIG 1 2.563 -0.672 -0.106 0.00 0.00 +0.101 A ATOM 9 N LIG 1 -0.362 -2.705 -0.256 0.00 0.00 -0.194 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 3.862 -3.135 -2.460 0.00 0.00 +0.220 A ATOM 11 N LIG 1 5.093 -2.617 -2.612 0.00 0.00 -0.269 N ATOM 12 H LIG 1 5.466 -1.797 -2.165 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 5.745 -3.408 -3.473 0.00 0.00 +0.440 A ATOM 14 O LIG 1 6.893 -3.255 -3.856 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 4.902 -4.422 -3.855 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 3.667 -4.204 -3.162 0.00 0.00 -0.051 NA ENDBRANCH 6 10 BRANCH 8 17 ATOM 17 C LIG 1 3.140 0.491 0.557 0.00 0.00 +0.004 A ATOM 18 C LIG 1 3.375 0.494 1.940 0.00 0.00 +0.030 A ATOM 19 C LIG 1 3.929 1.615 2.561 0.00 0.00 +0.042 A ATOM 20 CL LIG 1 4.181 1.605 4.263 0.00 0.00 -0.084 Cl ATOM 21 C LIG 1 4.272 2.740 1.817 0.00 0.00 +0.020 A ATOM 22 C LIG 1 4.069 2.743 0.439 0.00 0.00 +0.002 A ATOM 23 C LIG 1 3.514 1.624 -0.186 0.00 0.00 +0.010 A ENDBRANCH 8 17 BRANCH 1 25 ATOM 24 C LIG 1 -3.053 -2.658 0.550 0.00 0.00 +0.210 C ATOM 25 N LIG 1 -2.003 -1.810 1.223 0.00 0.00 -0.283 N ATOM 26 C LIG 1 -1.999 -1.970 2.698 0.00 0.00 +0.137 C ATOM 27 C LIG 1 -2.607 -3.316 3.119 0.00 0.00 +0.179 C ATOM 28 O LIG 1 -3.977 -3.463 2.717 0.00 0.00 -0.376 OA ATOM 29 C LIG 1 -4.273 -2.803 1.472 0.00 0.00 +0.193 C BRANCH 24 30 ATOM 30 C LIG 1 -3.541 -2.034 -0.758 0.00 0.00 +0.330 C ATOM 31 O LIG 1 -3.672 -0.834 -0.971 0.00 0.00 -0.249 OA BRANCH 30 33 ATOM 32 C LIG 1 -4.321 -2.529 -2.913 0.00 0.00 +0.280 C ATOM 33 O LIG 1 -3.880 -3.017 -1.646 0.00 0.00 -0.467 OA ENDBRANCH 30 33 ENDBRANCH 24 30 ENDBRANCH 1 25 BRANCH 2 34 ATOM 34 C LIG 1 -0.114 0.487 1.401 0.00 0.00 +0.128 C BRANCH 34 35 ATOM 35 C LIG 1 -0.226 1.685 0.439 0.00 0.00 +0.009 C ATOM 36 C LIG 1 -0.202 2.996 1.239 0.00 0.00 +0.005 C ATOM 37 C LIG 1 -0.345 4.218 0.335 0.00 0.00 +0.003 C ATOM 38 C LIG 1 -1.613 4.138 -0.522 0.00 0.00 -0.014 C ATOM 39 C LIG 1 -1.713 5.347 -1.451 0.00 0.00 +0.007 C ATOM 40 C LIG 1 -1.643 2.834 -1.327 0.00 0.00 +0.003 C ATOM 41 C LIG 1 -1.493 1.608 -0.427 0.00 0.00 +0.005 C ENDBRANCH 34 35 ENDBRANCH 2 34 TORSDOF 7