REMARK Name = BDB022362 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.135 -0.473 -1.127 0.00 0.00 +0.042 A ATOM 2 C LIG 1 0.212 -0.767 -0.568 0.00 0.00 +0.021 A ATOM 3 C LIG 1 0.664 -2.095 -0.479 0.00 0.00 +0.054 A ATOM 4 C LIG 1 1.919 -2.348 0.095 0.00 0.00 +0.028 A ATOM 5 C LIG 1 2.735 -1.303 0.543 0.00 0.00 +0.025 A ATOM 6 C LIG 1 2.343 0.025 0.402 0.00 0.00 +0.033 A ATOM 7 N LIG 1 -0.147 -3.153 -0.986 0.00 0.00 -0.311 N ATOM 8 C LIG 1 0.318 -4.529 -0.920 0.00 0.00 +0.152 C ATOM 9 C LIG 1 -1.364 -2.904 -1.597 0.00 0.00 +0.253 A ATOM 10 O LIG 1 -2.084 -3.768 -2.096 0.00 0.00 -0.268 OA ATOM 11 C LIG 1 1.069 0.270 -0.135 0.00 0.00 +0.035 A ATOM 12 C LIG 1 -1.832 -1.503 -1.627 0.00 0.00 +0.093 A ENDROOT BRANCH 1 13 ATOM 13 N LIG 1 -1.578 0.851 -1.079 0.00 0.00 -0.334 N ATOM 14 H LIG 1 -1.382 1.247 -0.156 0.00 0.00 +0.147 HD BRANCH 13 16 ATOM 15 C LIG 1 -2.825 2.810 -1.825 0.00 0.00 +0.036 C ATOM 16 C LIG 1 -2.918 1.320 -1.494 0.00 0.00 +0.135 C BRANCH 16 17 ATOM 17 C LIG 1 -3.955 1.103 -0.393 0.00 0.00 +0.149 A ATOM 18 N LIG 1 -5.151 0.587 -0.745 0.00 0.00 -0.238 NA ATOM 19 C LIG 1 -6.035 0.391 0.251 0.00 0.00 +0.114 A ATOM 20 C LIG 1 -5.779 0.694 1.566 0.00 0.00 +0.039 A ATOM 21 C LIG 1 -4.538 1.226 1.823 0.00 0.00 +0.114 A ATOM 22 N LIG 1 -3.611 1.446 0.872 0.00 0.00 -0.238 NA ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 1 13 BRANCH 6 23 ATOM 23 N LIG 1 3.110 1.117 0.855 0.00 0.00 -0.298 N ATOM 24 H LIG 1 2.733 2.010 0.549 0.00 0.00 +0.154 HD BRANCH 23 25 ATOM 25 C LIG 1 4.502 1.231 1.105 0.00 0.00 +0.146 A ATOM 26 C LIG 1 4.989 2.405 1.677 0.00 0.00 +0.118 A ATOM 27 CL LIG 1 3.948 3.738 2.026 0.00 0.00 -0.077 Cl ATOM 28 C LIG 1 6.348 2.428 1.922 0.00 0.00 +0.153 A ATOM 29 CL LIG 1 7.153 3.786 2.615 0.00 0.00 -0.060 Cl ATOM 30 N LIG 1 7.196 1.418 1.650 0.00 0.00 -0.222 NA ATOM 31 C LIG 1 6.629 0.340 1.110 0.00 0.00 +0.225 A ATOM 32 N LIG 1 5.327 0.197 0.830 0.00 0.00 -0.219 NA ENDBRANCH 23 25 ENDBRANCH 6 23 TORSDOF 5