REMARK Name = BDB036122 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.207 1.214 -2.499 0.00 0.00 +0.280 A ATOM 2 C LIG 1 -1.835 1.058 -2.291 0.00 0.00 +0.187 A ATOM 3 N LIG 1 -1.012 0.878 -3.349 0.00 0.00 -0.214 NA ATOM 4 C LIG 1 -1.602 0.833 -4.553 0.00 0.00 +0.247 A ATOM 5 N LIG 1 -2.924 0.947 -4.788 0.00 0.00 -0.134 NA ATOM 6 N LIG 1 -3.749 1.135 -3.737 0.00 0.00 -0.106 NA ENDROOT BRANCH 2 7 ATOM 7 N LIG 1 -1.250 1.115 -1.009 0.00 0.00 -0.310 N ATOM 8 C LIG 1 0.059 0.627 -0.678 0.00 0.00 +0.115 C ATOM 9 C LIG 1 -0.377 0.700 0.810 0.00 0.00 +0.004 C ATOM 10 C LIG 1 -0.015 2.008 1.529 0.00 0.00 +0.025 C ATOM 11 C LIG 1 1.216 1.829 2.427 0.00 0.00 +0.085 C ATOM 12 N LIG 1 2.149 0.836 1.881 0.00 0.00 -0.302 NA ATOM 13 C LIG 1 1.541 -0.507 1.865 0.00 0.00 +0.085 C ATOM 14 C LIG 1 0.019 -0.508 1.650 0.00 0.00 +0.025 C ATOM 15 C LIG 1 -1.813 0.670 0.235 0.00 0.00 +0.115 C BRANCH 12 16 ATOM 16 C LIG 1 3.437 0.878 2.597 0.00 0.00 +0.088 C BRANCH 16 17 ATOM 17 C LIG 1 4.651 0.352 1.790 0.00 0.00 +0.003 C ATOM 18 C LIG 1 4.662 -1.175 1.601 0.00 0.00 +0.005 C ATOM 19 C LIG 1 6.063 -1.795 1.564 0.00 0.00 +0.007 C ATOM 20 C LIG 1 7.110 -0.899 0.879 0.00 0.00 -0.022 C ATOM 21 C LIG 1 8.483 -1.613 0.842 0.00 0.00 +0.021 C ATOM 22 C LIG 1 9.275 -1.027 -0.345 0.00 0.00 +0.024 C ATOM 23 C LIG 1 10.100 -2.114 -1.039 0.00 0.00 +0.019 C ATOM 24 C LIG 1 10.172 0.144 0.052 0.00 0.00 +0.019 C ATOM 25 C LIG 1 8.153 -0.552 -1.250 0.00 0.00 +0.139 C ATOM 26 O LIG 1 8.321 -0.112 -2.381 0.00 0.00 -0.297 OA ATOM 27 C LIG 1 6.791 -0.709 -0.619 0.00 0.00 +0.081 C ATOM 28 C LIG 1 7.195 0.461 1.619 0.00 0.00 +0.007 C ATOM 29 C LIG 1 5.957 0.807 2.456 0.00 0.00 +0.005 C ENDBRANCH 16 17 ENDBRANCH 12 16 ENDBRANCH 2 7 BRANCH 1 30 ATOM 30 O LIG 1 -4.045 1.370 -1.413 0.00 0.00 -0.434 OA BRANCH 30 32 ATOM 31 C LIG 1 -6.267 1.845 -0.732 0.00 0.00 +0.082 A ATOM 32 C LIG 1 -5.153 2.179 -1.521 0.00 0.00 +0.143 A ATOM 33 C LIG 1 -5.181 3.355 -2.281 0.00 0.00 +0.050 A ATOM 34 C LIG 1 -6.313 4.175 -2.255 0.00 0.00 +0.042 A ATOM 35 C LIG 1 -7.393 3.841 -1.442 0.00 0.00 +0.124 A ATOM 36 F LIG 1 -8.460 4.650 -1.400 0.00 0.00 -0.205 F ATOM 37 C LIG 1 -7.375 2.694 -0.661 0.00 0.00 +0.055 A BRANCH 31 39 ATOM 38 N LIG 1 -6.738 -0.555 -0.182 0.00 0.00 -0.292 N ATOM 39 C LIG 1 -6.206 0.694 0.176 0.00 0.00 +0.251 C ATOM 40 O LIG 1 -5.663 0.916 1.260 0.00 0.00 -0.270 OA BRANCH 38 41 ATOM 41 C LIG 1 -6.588 -1.655 0.845 0.00 0.00 +0.077 C ATOM 42 C LIG 1 -7.863 -2.442 1.228 0.00 0.00 +0.022 C ATOM 43 C LIG 1 -6.970 -3.699 1.319 0.00 0.00 +0.004 C ATOM 44 C LIG 1 -5.978 -2.995 0.367 0.00 0.00 +0.022 C ENDBRANCH 38 41 BRANCH 38 46 ATOM 45 C LIG 1 -6.493 -0.787 -2.687 0.00 0.00 +0.028 C ATOM 46 C LIG 1 -7.406 -0.897 -1.470 0.00 0.00 +0.070 C ATOM 47 C LIG 1 -8.737 -0.178 -1.686 0.00 0.00 +0.028 C ENDBRANCH 38 46 ENDBRANCH 31 39 ENDBRANCH 30 32 ENDBRANCH 1 30 TORSDOF 8