REMARK Name = BDB036106 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.122 2.290 0.493 0.00 0.00 +0.280 A ATOM 2 C LIG 1 -3.080 2.350 -0.439 0.00 0.00 +0.187 A ATOM 3 N LIG 1 -3.163 3.167 -1.517 0.00 0.00 -0.214 NA ATOM 4 C LIG 1 -4.288 3.890 -1.613 0.00 0.00 +0.247 A ATOM 5 N LIG 1 -5.301 3.892 -0.726 0.00 0.00 -0.134 NA ATOM 6 N LIG 1 -5.208 3.085 0.357 0.00 0.00 -0.106 NA ENDROOT BRANCH 2 7 ATOM 7 N LIG 1 -1.892 1.586 -0.266 0.00 0.00 -0.310 N ATOM 8 C LIG 1 -0.597 2.237 -0.359 0.00 0.00 +0.115 C ATOM 9 C LIG 1 -0.035 0.904 -0.900 0.00 0.00 +0.004 C ATOM 10 C LIG 1 0.915 1.025 -2.095 0.00 0.00 +0.025 C ATOM 11 C LIG 1 2.366 0.979 -1.618 0.00 0.00 +0.085 C ATOM 12 N LIG 1 2.707 -0.248 -0.882 0.00 0.00 -0.302 NA ATOM 13 C LIG 1 1.535 -0.989 -0.396 0.00 0.00 +0.085 C ATOM 14 C LIG 1 0.501 -0.035 0.194 0.00 0.00 +0.025 C ATOM 15 C LIG 1 -1.500 0.663 -1.321 0.00 0.00 +0.115 C BRANCH 12 16 ATOM 16 C LIG 1 3.655 -1.122 -1.578 0.00 0.00 +0.088 C BRANCH 16 17 ATOM 17 C LIG 1 5.125 -0.997 -1.117 0.00 0.00 +0.006 C ATOM 18 C LIG 1 5.375 -1.394 0.365 0.00 0.00 -0.006 C ATOM 19 C LIG 1 6.894 -1.645 0.526 0.00 0.00 +0.011 C ATOM 20 C LIG 1 7.696 -0.370 0.122 0.00 0.00 -0.019 C ATOM 21 C LIG 1 6.692 0.771 -0.214 0.00 0.00 -0.004 C ATOM 22 C LIG 1 5.759 1.022 0.988 0.00 0.00 +0.004 C ATOM 23 C LIG 1 8.649 -0.662 -1.060 0.00 0.00 +0.081 C ATOM 24 C LIG 1 9.886 -1.179 -0.371 0.00 0.00 +0.134 C ATOM 25 O LIG 1 10.809 -1.735 -0.953 0.00 0.00 -0.297 OA ATOM 26 C LIG 1 9.861 -0.928 1.109 0.00 0.00 +0.075 C ATOM 27 C LIG 1 8.685 0.034 1.238 0.00 0.00 +0.015 C ATOM 28 C LIG 1 5.007 -0.265 1.345 0.00 0.00 +0.004 C ATOM 29 C LIG 1 5.792 0.364 -1.401 0.00 0.00 +0.009 C ENDBRANCH 16 17 ENDBRANCH 12 16 ENDBRANCH 2 7 BRANCH 1 30 ATOM 30 O LIG 1 -4.111 1.573 1.665 0.00 0.00 -0.434 OA BRANCH 30 32 ATOM 31 C LIG 1 -4.269 -0.739 0.823 0.00 0.00 +0.082 A ATOM 32 C LIG 1 -3.724 0.257 1.646 0.00 0.00 +0.143 A ATOM 33 C LIG 1 -2.781 -0.101 2.619 0.00 0.00 +0.050 A ATOM 34 C LIG 1 -2.350 -1.424 2.729 0.00 0.00 +0.042 A ATOM 35 C LIG 1 -2.869 -2.389 1.873 0.00 0.00 +0.124 A ATOM 36 F LIG 1 -2.447 -3.655 1.977 0.00 0.00 -0.205 F ATOM 37 C LIG 1 -3.823 -2.063 0.921 0.00 0.00 +0.055 A BRANCH 31 39 ATOM 38 N LIG 1 -6.645 -0.416 0.196 0.00 0.00 -0.292 N ATOM 39 C LIG 1 -5.300 -0.468 -0.189 0.00 0.00 +0.251 C ATOM 40 O LIG 1 -4.890 -0.353 -1.341 0.00 0.00 -0.270 OA BRANCH 38 42 ATOM 41 C LIG 1 -7.706 -1.349 -1.872 0.00 0.00 +0.028 C ATOM 42 C LIG 1 -7.675 -0.210 -0.850 0.00 0.00 +0.070 C ATOM 43 C LIG 1 -7.560 1.154 -1.532 0.00 0.00 +0.028 C ENDBRANCH 38 42 BRANCH 38 44 ATOM 44 C LIG 1 -7.100 -0.594 1.596 0.00 0.00 +0.070 C ATOM 45 C LIG 1 -7.833 0.641 2.123 0.00 0.00 +0.028 C ATOM 46 C LIG 1 -7.938 -1.864 1.762 0.00 0.00 +0.028 C ENDBRANCH 38 44 ENDBRANCH 31 39 ENDBRANCH 30 32 ENDBRANCH 1 30 TORSDOF 8