REMARK Name = BDB026990 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.137 -0.278 -0.473 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.347 -0.987 0.861 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -1.146 -2.366 1.036 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.317 -2.959 2.290 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.687 -2.187 3.389 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.889 -0.819 3.236 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.719 -0.224 1.986 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 N LIG 1 -2.291 0.564 -0.888 0.00 0.00 -0.300 NA ATOM 9 H LIG 1 -1.953 1.266 -1.548 0.00 0.00 +0.123 HD BRANCH 8 11 ATOM 10 C LIG 1 -4.136 -1.146 -0.590 0.00 0.00 +0.024 C ATOM 11 C LIG 1 -3.490 -0.066 -1.460 0.00 0.00 +0.056 C BRANCH 11 12 ATOM 12 C LIG 1 -4.532 1.032 -1.834 0.00 0.00 +0.055 C BRANCH 12 13 ATOM 13 C LIG 1 -4.978 1.944 -0.706 0.00 0.00 -0.028 A ATOM 14 C LIG 1 -4.355 3.173 -0.421 0.00 0.00 +0.046 A ATOM 15 CL LIG 1 -3.046 3.788 -1.371 0.00 0.00 -0.083 Cl ATOM 16 C LIG 1 -4.791 3.964 0.646 0.00 0.00 +0.040 A ATOM 17 C LIG 1 -5.854 3.537 1.436 0.00 0.00 +0.042 A ATOM 18 CL LIG 1 -6.387 4.510 2.751 0.00 0.00 -0.083 Cl ATOM 19 C LIG 1 -6.491 2.330 1.168 0.00 0.00 +0.020 A ATOM 20 C LIG 1 -6.057 1.540 0.102 0.00 0.00 +0.006 A ENDBRANCH 12 13 ENDBRANCH 11 12 ENDBRANCH 8 11 ENDBRANCH 1 8 BRANCH 1 21 ATOM 21 C LIG 1 -0.568 -1.154 -1.615 0.00 0.00 +0.186 C ATOM 22 O LIG 1 -1.295 -1.875 -2.305 0.00 0.00 -0.290 OA BRANCH 21 23 ATOM 23 C LIG 1 0.878 -1.119 -1.899 0.00 0.00 +0.044 A ATOM 24 C LIG 1 2.010 -0.793 -1.071 0.00 0.00 +0.010 A ATOM 25 C LIG 1 3.153 -0.909 -1.869 0.00 0.00 +0.048 A ATOM 26 C LIG 1 4.451 -0.653 -1.398 0.00 0.00 +0.034 A ATOM 27 C LIG 1 4.617 -0.280 -0.057 0.00 0.00 -0.013 A ATOM 28 C LIG 1 3.494 -0.174 0.767 0.00 0.00 +0.009 A ATOM 29 N LIG 1 2.746 -1.314 -3.117 0.00 0.00 -0.360 N ATOM 30 H LIG 1 3.367 -1.494 -3.895 0.00 0.00 +0.165 HD ATOM 31 C LIG 1 2.202 -0.429 0.279 0.00 0.00 +0.011 A ATOM 32 C LIG 1 1.390 -1.459 -3.142 0.00 0.00 +0.095 A BRANCH 27 33 ATOM 33 C LIG 1 5.950 -0.008 0.455 0.00 0.00 +0.020 A ATOM 34 C LIG 1 6.366 -0.220 1.754 0.00 0.00 +0.116 A ATOM 35 N LIG 1 7.681 0.147 1.802 0.00 0.00 -0.274 N ATOM 36 C LIG 1 8.553 0.102 2.950 0.00 0.00 +0.172 C ATOM 37 N LIG 1 8.159 0.581 0.623 0.00 0.00 -0.179 NA ATOM 38 C LIG 1 7.107 0.486 -0.193 0.00 0.00 +0.142 A ENDBRANCH 27 33 ENDBRANCH 21 23 ENDBRANCH 1 21 TORSDOF 8