REMARK Name = BDB042033 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.163 -1.153 -0.842 0.00 0.00 +0.119 C ENDROOT BRANCH 1 8 ATOM 2 N LIG 1 5.449 0.447 0.891 0.00 0.00 -0.282 N ATOM 3 C LIG 1 4.566 0.456 1.965 0.00 0.00 +0.251 C ATOM 4 O LIG 1 4.820 0.726 3.122 0.00 0.00 -0.270 OA ATOM 5 C LIG 1 3.256 0.072 1.437 0.00 0.00 +0.077 A ATOM 6 C LIG 1 3.404 -0.228 0.083 0.00 0.00 -0.015 A ATOM 7 C LIG 1 2.313 -0.628 -0.671 0.00 0.00 +0.011 A ATOM 8 C LIG 1 1.054 -0.719 -0.045 0.00 0.00 -0.030 A ATOM 9 C LIG 1 0.928 -0.410 1.328 0.00 0.00 +0.044 A ATOM 10 C LIG 1 2.038 -0.013 2.072 0.00 0.00 +0.136 A ATOM 11 F LIG 1 1.894 0.280 3.370 0.00 0.00 -0.205 F ATOM 12 C LIG 1 4.829 -0.061 -0.326 0.00 0.00 +0.144 C BRANCH 2 19 ATOM 13 O LIG 1 10.838 -0.117 0.099 0.00 0.00 -0.275 OA ATOM 14 C LIG 1 9.694 0.121 0.472 0.00 0.00 +0.219 C ATOM 15 N LIG 1 8.931 -0.845 1.077 0.00 0.00 -0.255 N ATOM 16 H LIG 1 9.358 -1.762 1.101 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 7.556 -0.852 1.144 0.00 0.00 +0.240 C ATOM 18 O LIG 1 6.945 -1.914 1.234 0.00 0.00 -0.273 OA ATOM 19 C LIG 1 6.892 0.534 1.081 0.00 0.00 +0.163 C ATOM 20 C LIG 1 7.575 1.361 -0.004 0.00 0.00 +0.041 C ATOM 21 C LIG 1 9.058 1.482 0.312 0.00 0.00 +0.098 C ENDBRANCH 2 19 ENDBRANCH 1 8 BRANCH 1 22 ATOM 22 N LIG 1 -0.467 -0.251 -1.969 0.00 0.00 -0.296 NA ATOM 23 C LIG 1 -1.564 -0.811 -2.793 0.00 0.00 +0.100 C ATOM 24 C LIG 1 -3.005 -0.349 -2.432 0.00 0.00 +0.100 C ATOM 25 N LIG 1 -3.145 0.020 -1.008 0.00 0.00 -0.289 NA ATOM 26 C LIG 1 -2.215 1.149 -0.731 0.00 0.00 +0.100 C ATOM 27 C LIG 1 -0.875 1.092 -1.514 0.00 0.00 +0.100 C BRANCH 25 28 ATOM 28 C LIG 1 -4.555 0.374 -0.652 0.00 0.00 +0.123 C BRANCH 28 29 ATOM 29 C LIG 1 -5.539 -0.772 -0.897 0.00 0.00 +0.009 A ATOM 30 C LIG 1 -6.780 -0.506 -1.488 0.00 0.00 +0.128 A ATOM 31 F LIG 1 -7.090 0.742 -1.867 0.00 0.00 -0.205 F ATOM 32 C LIG 1 -7.715 -1.516 -1.705 0.00 0.00 +0.039 A ATOM 33 C LIG 1 -7.422 -2.824 -1.326 0.00 0.00 +0.003 A ATOM 34 C LIG 1 -6.195 -3.114 -0.732 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -5.261 -2.097 -0.516 0.00 0.00 +0.008 A ENDBRANCH 28 29 BRANCH 28 36 ATOM 36 C LIG 1 -4.701 0.863 0.791 0.00 0.00 +0.009 A ATOM 37 C LIG 1 -5.413 2.038 1.059 0.00 0.00 +0.128 A ATOM 38 F LIG 1 -5.941 2.748 0.052 0.00 0.00 -0.205 F ATOM 39 C LIG 1 -5.583 2.506 2.359 0.00 0.00 +0.039 A ATOM 40 C LIG 1 -5.040 1.796 3.427 0.00 0.00 +0.003 A ATOM 41 C LIG 1 -4.330 0.620 3.188 0.00 0.00 +0.000 A ATOM 42 C LIG 1 -4.164 0.155 1.881 0.00 0.00 +0.008 A ENDBRANCH 28 36 ENDBRANCH 25 28 ENDBRANCH 1 22 TORSDOF 6