REMARK Name = BDB008540 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.880 -1.498 -1.291 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.584 -0.988 -1.329 0.00 0.00 +0.129 A ATOM 3 C LIG 1 0.241 -1.276 -2.401 0.00 0.00 +0.184 A ATOM 4 N LIG 1 1.450 -0.666 -2.280 0.00 0.00 -0.206 NA ATOM 5 C LIG 1 1.421 0.003 -1.137 0.00 0.00 +0.162 A ATOM 6 N LIG 1 -0.101 -2.062 -3.432 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 -1.335 -2.553 -3.300 0.00 0.00 +0.242 A ATOM 8 N LIG 1 0.209 -0.223 -0.492 0.00 0.00 -0.314 N ATOM 9 N LIG 1 -2.229 -2.321 -2.301 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 2.534 0.835 -0.655 0.00 0.00 +0.107 A ATOM 11 N LIG 1 2.243 1.753 0.294 0.00 0.00 -0.252 NA ATOM 12 C LIG 1 3.256 2.534 0.727 0.00 0.00 +0.112 A ATOM 13 C LIG 1 4.554 2.453 0.251 0.00 0.00 +0.023 A ATOM 14 C LIG 1 4.845 1.516 -0.742 0.00 0.00 -0.040 A ATOM 15 C LIG 1 3.809 0.694 -1.198 0.00 0.00 +0.035 A BRANCH 14 16 ATOM 16 C LIG 1 6.243 1.372 -1.290 0.00 0.00 +0.070 C BRANCH 16 17 ATOM 17 C LIG 1 7.140 0.517 -0.427 0.00 0.00 -0.043 A ATOM 18 C LIG 1 7.094 -0.882 -0.521 0.00 0.00 +0.004 A ATOM 19 C LIG 1 7.913 -1.673 0.286 0.00 0.00 +0.000 A ATOM 20 C LIG 1 8.784 -1.076 1.196 0.00 0.00 +0.000 A ATOM 21 C LIG 1 8.835 0.313 1.302 0.00 0.00 +0.000 A ATOM 22 C LIG 1 8.016 1.106 0.496 0.00 0.00 +0.004 A ENDBRANCH 16 17 ENDBRANCH 14 16 ENDBRANCH 5 10 BRANCH 1 23 ATOM 23 N LIG 1 -2.784 -1.197 -0.285 0.00 0.00 -0.324 N ATOM 24 H LIG 1 -2.674 -0.247 0.054 0.00 0.00 +0.148 HD BRANCH 23 26 ATOM 25 C LIG 1 -4.893 -0.588 -1.390 0.00 0.00 +0.028 C ATOM 26 C LIG 1 -4.191 -1.569 -0.449 0.00 0.00 +0.072 C BRANCH 26 27 ATOM 27 C LIG 1 -4.869 -1.515 0.924 0.00 0.00 +0.009 C ATOM 28 C LIG 1 -4.400 -2.568 1.968 0.00 0.00 +0.005 C ATOM 29 C LIG 1 -5.861 -2.626 2.458 0.00 0.00 +0.001 C ATOM 30 C LIG 1 -6.276 -2.163 1.047 0.00 0.00 +0.005 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 1 23 BRANCH 7 31 ATOM 31 C LIG 1 -1.842 -3.480 -4.373 0.00 0.00 +0.375 C ATOM 32 O LIG 1 -1.243 -3.829 -5.374 0.00 0.00 -0.242 OA BRANCH 31 33 ATOM 33 O LIG 1 -3.106 -3.901 -4.076 0.00 0.00 -0.475 OA ATOM 34 H LIG 1 -3.385 -3.499 -3.220 0.00 0.00 +0.296 HD ENDBRANCH 31 33 ENDBRANCH 7 31 BRANCH 8 35 ATOM 35 C LIG 1 -0.100 0.093 0.900 0.00 0.00 +0.159 C BRANCH 35 36 ATOM 36 C LIG 1 -1.043 1.263 1.080 0.00 0.00 -0.028 A ATOM 37 C LIG 1 -1.034 2.384 0.239 0.00 0.00 +0.006 A ATOM 38 C LIG 1 -1.927 3.441 0.446 0.00 0.00 +0.013 A ATOM 39 C LIG 1 -2.835 3.411 1.512 0.00 0.00 +0.055 A ATOM 40 C LIG 1 -2.834 2.301 2.367 0.00 0.00 +0.013 A ATOM 41 C LIG 1 -1.942 1.246 2.159 0.00 0.00 +0.006 A BRANCH 39 42 ATOM 42 C LIG 1 -3.814 4.538 1.733 0.00 0.00 +0.417 C ATOM 43 F LIG 1 -3.913 4.901 3.042 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -5.075 4.207 1.341 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -3.497 5.676 1.055 0.00 0.00 -0.166 F ENDBRANCH 39 42 ENDBRANCH 35 36 ENDBRANCH 8 35 TORSDOF 11