REMARK Name = BDB042856 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.848 -1.628 -0.025 0.00 0.00 -0.310 N ATOM 2 C LIG 1 -0.411 -1.764 0.279 0.00 0.00 +0.116 C ATOM 3 C LIG 1 0.275 -0.729 -0.621 0.00 0.00 +0.013 C ATOM 4 C LIG 1 1.725 -1.038 -1.090 0.00 0.00 +0.094 C ATOM 5 N LIG 1 2.195 -0.291 0.083 0.00 0.00 -0.298 NA ATOM 6 C LIG 1 0.932 0.457 0.156 0.00 0.00 +0.094 C ATOM 7 C LIG 1 -0.755 -0.363 -1.677 0.00 0.00 +0.030 C ATOM 8 C LIG 1 -2.074 -0.491 -0.918 0.00 0.00 +0.107 C ENDROOT BRANCH 1 10 ATOM 9 C LIG 1 -4.148 -1.813 0.867 0.00 0.00 +0.280 A ATOM 10 C LIG 1 -2.760 -1.986 0.963 0.00 0.00 +0.187 A ATOM 11 N LIG 1 -2.266 -2.591 2.069 0.00 0.00 -0.214 NA ATOM 12 C LIG 1 -3.147 -2.931 3.021 0.00 0.00 +0.247 A ATOM 13 N LIG 1 -4.479 -2.739 2.974 0.00 0.00 -0.134 NA ATOM 14 N LIG 1 -4.992 -2.170 1.870 0.00 0.00 -0.106 NA BRANCH 9 15 ATOM 15 O LIG 1 -4.691 -1.238 -0.267 0.00 0.00 -0.434 OA BRANCH 15 17 ATOM 16 C LIG 1 -6.940 -0.558 -0.708 0.00 0.00 +0.082 A ATOM 17 C LIG 1 -5.983 -1.572 -0.587 0.00 0.00 +0.143 A ATOM 18 C LIG 1 -6.330 -2.895 -0.887 0.00 0.00 +0.050 A ATOM 19 C LIG 1 -7.633 -3.191 -1.293 0.00 0.00 +0.042 A ATOM 20 C LIG 1 -8.571 -2.166 -1.417 0.00 0.00 +0.124 A ATOM 21 F LIG 1 -9.814 -2.459 -1.820 0.00 0.00 -0.205 F ATOM 22 C LIG 1 -8.239 -0.848 -1.134 0.00 0.00 +0.055 A BRANCH 16 24 ATOM 23 N LIG 1 -6.738 1.342 0.870 0.00 0.00 -0.295 N ATOM 24 C LIG 1 -6.576 0.839 -0.430 0.00 0.00 +0.250 C ATOM 25 O LIG 1 -6.145 1.493 -1.378 0.00 0.00 -0.270 OA BRANCH 23 26 ATOM 26 C LIG 1 -6.423 2.776 1.062 0.00 0.00 +0.070 C ATOM 27 C LIG 1 -6.041 3.164 2.492 0.00 0.00 +0.028 C ATOM 28 C LIG 1 -7.552 3.678 0.545 0.00 0.00 +0.028 C ENDBRANCH 23 26 BRANCH 23 30 ATOM 29 C LIG 1 -8.822 0.853 2.163 0.00 0.00 +0.024 C ATOM 30 C LIG 1 -7.343 0.562 1.965 0.00 0.00 +0.105 C ENDBRANCH 23 30 ENDBRANCH 16 24 ENDBRANCH 15 17 ENDBRANCH 9 15 ENDBRANCH 1 10 BRANCH 5 31 ATOM 31 C LIG 1 3.442 0.469 -0.105 0.00 0.00 +0.059 C BRANCH 31 32 ATOM 32 C LIG 1 3.405 1.891 -0.775 0.00 0.00 -0.000 C ATOM 33 C LIG 1 4.781 2.577 -0.771 0.00 0.00 +0.009 C ATOM 34 C LIG 1 2.921 1.873 -2.232 0.00 0.00 +0.009 C ENDBRANCH 31 32 BRANCH 31 35 ATOM 35 C LIG 1 4.061 0.512 1.329 0.00 0.00 +0.020 C BRANCH 35 36 ATOM 36 C LIG 1 5.551 0.137 1.398 0.00 0.00 +0.017 C BRANCH 36 37 ATOM 37 C LIG 1 5.799 -1.356 1.119 0.00 0.00 +0.084 C BRANCH 37 38 ATOM 38 N LIG 1 7.202 -1.807 1.157 0.00 0.00 -0.297 NA ATOM 39 C LIG 1 7.695 -1.914 2.530 0.00 0.00 +0.105 C BRANCH 38 40 ATOM 40 C LIG 1 8.140 -1.010 0.333 0.00 0.00 +0.180 C BRANCH 40 41 ATOM 41 C LIG 1 7.798 -0.953 -1.173 0.00 0.00 +0.229 C ATOM 42 N LIG 1 8.573 -0.087 -1.953 0.00 0.00 -0.307 N ATOM 43 C LIG 1 8.282 0.024 -3.375 0.00 0.00 +0.131 C ATOM 44 C LIG 1 9.757 0.626 -1.499 0.00 0.00 +0.131 C ATOM 45 O LIG 1 6.892 -1.616 -1.683 0.00 0.00 -0.274 OA ENDBRANCH 40 41 ENDBRANCH 38 40 ENDBRANCH 37 38 ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 31 35 ENDBRANCH 5 31 TORSDOF 14