REMARK Name = BDB010963 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.591 -0.447 0.144 0.00 0.00 -0.239 N ATOM 2 N LIG 1 0.486 -1.212 0.470 0.00 0.00 -0.166 NA ATOM 3 C LIG 1 1.521 -0.701 -0.208 0.00 0.00 +0.094 A ATOM 4 C LIG 1 1.078 0.418 -0.991 0.00 0.00 +0.032 A ATOM 5 C LIG 1 1.849 1.219 -1.838 0.00 0.00 +0.066 A ATOM 6 C LIG 1 3.197 0.768 -1.836 0.00 0.00 +0.018 A ATOM 7 C LIG 1 3.700 -0.343 -1.068 0.00 0.00 -0.031 A ATOM 8 C LIG 1 2.862 -1.116 -0.227 0.00 0.00 +0.035 A ATOM 9 C LIG 1 -0.262 0.553 -0.748 0.00 0.00 +0.123 A ENDROOT BRANCH 1 14 ATOM 10 C LIG 1 -3.249 -2.100 2.146 0.00 0.00 +0.027 A ATOM 11 C LIG 1 -4.361 -1.314 1.827 0.00 0.00 +0.021 A ATOM 12 C LIG 1 -4.274 -0.216 0.947 0.00 0.00 -0.031 A ATOM 13 C LIG 1 -2.995 0.050 0.400 0.00 0.00 +0.032 A ATOM 14 C LIG 1 -1.869 -0.729 0.710 0.00 0.00 +0.067 A ATOM 15 C LIG 1 -2.006 -1.809 1.591 0.00 0.00 +0.044 A BRANCH 12 16 ATOM 16 C LIG 1 -5.538 0.694 0.557 0.00 0.00 +0.056 C ATOM 17 C LIG 1 -5.426 2.212 0.957 0.00 0.00 +0.022 C ATOM 18 C LIG 1 -6.941 2.202 1.264 0.00 0.00 -0.012 C ATOM 19 C LIG 1 -7.393 3.010 2.463 0.00 0.00 +0.007 C ATOM 20 C LIG 1 -6.815 0.673 1.470 0.00 0.00 +0.022 C BRANCH 16 21 ATOM 21 C LIG 1 -5.892 0.481 -0.979 0.00 0.00 +0.144 A ATOM 22 N LIG 1 -6.273 -0.677 -1.599 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -6.437 -1.982 -1.022 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -6.448 -0.360 -2.911 0.00 0.00 +0.224 A ATOM 25 N LIG 1 -6.188 0.912 -3.094 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -5.829 1.442 -1.878 0.00 0.00 -0.134 NA ENDBRANCH 16 21 ENDBRANCH 12 16 BRANCH 10 28 ATOM 27 C LIG 1 -3.512 -4.139 3.790 0.00 0.00 +0.009 C ATOM 28 C LIG 1 -3.394 -3.208 3.041 0.00 0.00 -0.070 C ENDBRANCH 10 28 ENDBRANCH 1 14 BRANCH 5 29 ATOM 29 C LIG 1 1.383 2.382 -2.653 0.00 0.00 +0.418 C ATOM 30 F LIG 1 0.449 2.029 -3.579 0.00 0.00 -0.166 F ATOM 31 F LIG 1 2.381 2.994 -3.350 0.00 0.00 -0.166 F ATOM 32 F LIG 1 0.808 3.358 -1.896 0.00 0.00 -0.166 F ENDBRANCH 5 29 BRANCH 7 33 ATOM 33 C LIG 1 5.173 -0.713 -1.180 0.00 0.00 +0.119 C BRANCH 33 34 ATOM 34 N LIG 1 6.072 0.412 -0.883 0.00 0.00 -0.298 NA ATOM 35 C LIG 1 7.450 0.140 -1.322 0.00 0.00 +0.088 C ATOM 36 C LIG 1 8.202 -0.878 -0.445 0.00 0.00 +0.000 C ATOM 37 C LIG 1 9.640 -1.050 -0.931 0.00 0.00 +0.009 C ATOM 38 C LIG 1 8.176 -0.441 1.023 0.00 0.00 +0.006 C ATOM 39 C LIG 1 6.749 -0.149 1.480 0.00 0.00 +0.016 C ATOM 40 C LIG 1 6.049 0.824 0.529 0.00 0.00 +0.085 C ENDBRANCH 33 34 ENDBRANCH 7 33 TORSDOF 7