REMARK Name = BDB005894 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.533 -0.757 0.299 0.00 0.00 -0.310 N ATOM 2 C LIG 1 -1.618 -0.136 -0.297 0.00 0.00 +0.096 A ATOM 3 C LIG 1 -2.008 -1.041 -1.284 0.00 0.00 +0.095 A ATOM 4 C LIG 1 -3.069 -0.747 -2.139 0.00 0.00 +0.061 A ATOM 5 C LIG 1 -3.685 0.474 -1.941 0.00 0.00 +0.112 A ATOM 6 N LIG 1 -3.323 1.362 -0.981 0.00 0.00 -0.241 NA ATOM 7 N LIG 1 -1.235 -2.167 -1.260 0.00 0.00 -0.214 NA ATOM 8 C LIG 1 -2.294 1.078 -0.135 0.00 0.00 +0.099 A ATOM 9 C LIG 1 -0.369 -1.992 -0.299 0.00 0.00 +0.200 A ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 -2.019 2.083 0.875 0.00 0.00 +0.022 A ATOM 11 C LIG 1 -2.430 1.927 2.205 0.00 0.00 +0.033 A ATOM 12 C LIG 1 -2.156 2.925 3.136 0.00 0.00 +0.060 A ATOM 13 CL LIG 1 -2.630 2.741 4.774 0.00 0.00 -0.082 Cl ATOM 14 C LIG 1 -1.488 4.062 2.711 0.00 0.00 +0.130 A ATOM 15 N LIG 1 -1.088 4.262 1.433 0.00 0.00 -0.261 NA ATOM 16 C LIG 1 -1.377 3.277 0.547 0.00 0.00 +0.120 A ENDBRANCH 8 10 BRANCH 5 17 ATOM 17 C LIG 1 -4.799 0.903 -2.764 0.00 0.00 +0.198 A ATOM 18 N LIG 1 -5.436 2.099 -2.593 0.00 0.00 -0.238 N ATOM 19 H LIG 1 -5.245 2.825 -1.913 0.00 0.00 +0.192 HD ATOM 20 N LIG 1 -6.425 2.235 -3.485 0.00 0.00 -0.046 NA ATOM 21 N LIG 1 -6.392 1.121 -4.202 0.00 0.00 -0.023 NA ATOM 22 N LIG 1 -5.390 0.284 -3.768 0.00 0.00 -0.107 NA ENDBRANCH 5 17 BRANCH 9 23 ATOM 23 N LIG 1 0.583 -2.862 0.113 0.00 0.00 -0.289 N ATOM 24 C LIG 1 1.379 -3.593 -0.925 0.00 0.00 +0.180 C ATOM 25 C LIG 1 2.074 -4.653 -0.056 0.00 0.00 +0.033 C ATOM 26 C LIG 1 0.982 -5.090 0.904 0.00 0.00 +0.021 C ATOM 27 C LIG 1 0.169 -3.823 1.155 0.00 0.00 +0.108 C BRANCH 24 28 ATOM 28 C LIG 1 0.634 -4.256 -2.113 0.00 0.00 +0.408 C ATOM 29 F LIG 1 1.479 -5.112 -2.754 0.00 0.00 -0.169 F ATOM 30 F LIG 1 0.241 -3.366 -3.050 0.00 0.00 -0.169 F ATOM 31 F LIG 1 -0.433 -4.990 -1.727 0.00 0.00 -0.169 F ENDBRANCH 24 28 ENDBRANCH 9 23 BRANCH 1 32 ATOM 32 C LIG 1 0.330 -0.213 1.335 0.00 0.00 +0.128 C BRANCH 32 37 ATOM 33 C LIG 1 3.149 3.041 -1.065 0.00 0.00 +0.007 C ATOM 34 C LIG 1 3.693 2.378 0.204 0.00 0.00 -0.014 C ATOM 35 C LIG 1 3.816 0.861 0.037 0.00 0.00 +0.003 C ATOM 36 C LIG 1 2.470 0.132 -0.022 0.00 0.00 +0.005 C ATOM 37 C LIG 1 1.359 0.803 0.808 0.00 0.00 +0.009 C ATOM 38 C LIG 1 1.963 1.612 1.958 0.00 0.00 +0.005 C ATOM 39 C LIG 1 2.854 2.746 1.442 0.00 0.00 +0.003 C ENDBRANCH 32 37 ENDBRANCH 1 32 TORSDOF 6