REMARK Name = BDB010184 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.524 -0.687 -0.501 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -1.154 -0.832 -0.306 0.00 0.00 +0.130 A ATOM 3 C LIG 1 -0.409 -1.584 -1.199 0.00 0.00 +0.185 A ATOM 4 N LIG 1 0.898 -1.662 -0.826 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 0.996 -0.961 0.277 0.00 0.00 +0.201 A ATOM 6 N LIG 1 -0.910 -2.181 -2.290 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 -2.221 -1.956 -2.441 0.00 0.00 +0.242 A ATOM 8 N LIG 1 -0.213 -0.358 0.585 0.00 0.00 -0.303 N ATOM 9 N LIG 1 -3.030 -1.251 -1.615 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 2.120 -0.767 1.032 0.00 0.00 -0.298 N ATOM 11 C LIG 1 3.432 -0.818 0.322 0.00 0.00 +0.080 C ATOM 12 C LIG 1 3.835 -2.272 0.004 0.00 0.00 +0.023 C ATOM 13 C LIG 1 3.424 -3.259 1.100 0.00 0.00 +0.003 C ATOM 14 C LIG 1 3.217 -2.551 2.431 0.00 0.00 +0.019 C ATOM 15 C LIG 1 2.132 -1.473 2.336 0.00 0.00 +0.108 C BRANCH 11 16 ATOM 16 C LIG 1 3.481 0.106 -0.918 0.00 0.00 +0.057 C BRANCH 16 17 ATOM 17 C LIG 1 4.892 0.417 -1.370 0.00 0.00 -0.045 A ATOM 18 C LIG 1 5.474 -0.301 -2.427 0.00 0.00 +0.006 A ATOM 19 C LIG 1 6.780 -0.024 -2.832 0.00 0.00 +0.038 A ATOM 20 C LIG 1 7.501 0.969 -2.182 0.00 0.00 +0.123 A ATOM 21 F LIG 1 8.755 1.233 -2.570 0.00 0.00 -0.205 F ATOM 22 C LIG 1 6.942 1.693 -1.134 0.00 0.00 +0.038 A ATOM 23 C LIG 1 5.637 1.418 -0.727 0.00 0.00 +0.006 A ENDBRANCH 16 17 ENDBRANCH 11 16 ENDBRANCH 5 10 BRANCH 1 24 ATOM 24 N LIG 1 -3.357 -0.017 0.391 0.00 0.00 -0.324 N ATOM 25 H LIG 1 -3.148 -0.267 1.350 0.00 0.00 +0.148 HD BRANCH 24 27 ATOM 26 C LIG 1 -5.392 1.214 0.802 0.00 0.00 +0.028 C ATOM 27 C LIG 1 -4.801 -0.018 0.111 0.00 0.00 +0.072 C BRANCH 27 28 ATOM 28 C LIG 1 -5.451 -1.329 0.574 0.00 0.00 +0.009 C ATOM 29 C LIG 1 -5.562 -1.678 2.086 0.00 0.00 +0.005 C ATOM 30 C LIG 1 -6.862 -2.434 1.737 0.00 0.00 +0.001 C ATOM 31 C LIG 1 -6.998 -1.496 0.518 0.00 0.00 +0.005 C ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 1 24 BRANCH 7 32 ATOM 32 C LIG 1 -2.858 -2.586 -3.652 0.00 0.00 +0.375 C ATOM 33 O LIG 1 -2.308 -3.262 -4.506 0.00 0.00 -0.242 OA BRANCH 32 34 ATOM 34 O LIG 1 -4.189 -2.346 -3.748 0.00 0.00 -0.475 OA ATOM 35 H LIG 1 -4.446 -2.811 -4.571 0.00 0.00 +0.296 HD ENDBRANCH 32 34 ENDBRANCH 7 32 BRANCH 8 36 ATOM 36 C LIG 1 -0.405 0.671 1.594 0.00 0.00 +0.160 C BRANCH 36 37 ATOM 37 C LIG 1 -0.153 2.057 1.050 0.00 0.00 -0.028 A ATOM 38 C LIG 1 1.137 2.605 1.082 0.00 0.00 +0.006 A ATOM 39 C LIG 1 1.383 3.880 0.567 0.00 0.00 +0.013 A ATOM 40 C LIG 1 0.345 4.637 0.011 0.00 0.00 +0.055 A ATOM 41 C LIG 1 -0.948 4.094 -0.011 0.00 0.00 +0.013 A ATOM 42 C LIG 1 -1.192 2.816 0.498 0.00 0.00 +0.006 A BRANCH 40 43 ATOM 43 C LIG 1 0.624 6.016 -0.536 0.00 0.00 +0.417 C ATOM 44 F LIG 1 1.714 6.050 -1.354 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -0.407 6.530 -1.269 0.00 0.00 -0.166 F ATOM 46 F LIG 1 0.871 6.923 0.450 0.00 0.00 -0.166 F ENDBRANCH 40 43 ENDBRANCH 36 37 ENDBRANCH 8 36 TORSDOF 11