REMARK Name = BDB058966 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.754 0.181 0.858 0.00 0.00 -0.297 N ATOM 2 C LIG 1 -1.279 -1.160 1.196 0.00 0.00 +0.127 C ATOM 3 C LIG 1 0.261 -1.188 1.243 0.00 0.00 +0.127 C ATOM 4 N LIG 1 0.851 -0.118 2.063 0.00 0.00 -0.294 N ATOM 5 C LIG 1 2.217 0.091 2.216 0.00 0.00 +0.249 C ATOM 6 O LIG 1 2.697 1.090 2.748 0.00 0.00 -0.270 OA ATOM 7 C LIG 1 -0.083 0.891 2.567 0.00 0.00 +0.127 C ATOM 8 C LIG 1 -1.104 1.331 1.501 0.00 0.00 +0.127 C ENDROOT BRANCH 5 9 ATOM 9 C LIG 1 3.158 -0.895 1.660 0.00 0.00 +0.072 A ATOM 10 C LIG 1 3.254 -2.174 2.198 0.00 0.00 +0.135 A ATOM 11 F LIG 1 2.471 -2.554 3.219 0.00 0.00 -0.205 F ATOM 12 C LIG 1 4.165 -3.088 1.677 0.00 0.00 +0.039 A ATOM 13 C LIG 1 4.995 -2.713 0.618 0.00 0.00 +0.007 A ATOM 14 C LIG 1 4.924 -1.419 0.078 0.00 0.00 -0.041 A ATOM 15 C LIG 1 4.006 -0.505 0.617 0.00 0.00 +0.020 A BRANCH 14 16 ATOM 16 C LIG 1 5.851 -1.002 -1.042 0.00 0.00 +0.093 C BRANCH 16 17 ATOM 17 C LIG 1 7.242 -0.550 -0.606 0.00 0.00 +0.074 A ATOM 18 C LIG 1 8.172 -0.033 -1.645 0.00 0.00 +0.011 A ATOM 19 C LIG 1 9.435 0.379 -1.227 0.00 0.00 +0.050 A ATOM 20 C LIG 1 10.365 0.878 -2.148 0.00 0.00 +0.014 A ATOM 21 C LIG 1 10.025 0.963 -3.497 0.00 0.00 +0.001 A ATOM 22 C LIG 1 8.764 0.549 -3.923 0.00 0.00 +0.001 A ATOM 23 C LIG 1 9.789 0.279 0.198 0.00 0.00 +0.272 A ATOM 24 O LIG 1 10.889 0.630 0.610 0.00 0.00 -0.266 OA ATOM 25 N LIG 1 8.819 -0.233 1.023 0.00 0.00 -0.242 N ATOM 26 H LIG 1 9.037 -0.302 2.013 0.00 0.00 +0.192 HD ATOM 27 C LIG 1 7.836 0.051 -3.003 0.00 0.00 +0.010 A ATOM 28 N LIG 1 7.578 -0.640 0.647 0.00 0.00 -0.175 NA ENDBRANCH 16 17 ENDBRANCH 14 16 ENDBRANCH 5 9 BRANCH 1 31 ATOM 29 C LIG 1 -5.027 -0.538 -0.235 0.00 0.00 +0.170 A ATOM 30 N LIG 1 -3.782 -0.749 0.188 0.00 0.00 -0.194 NA ATOM 31 C LIG 1 -3.058 0.336 0.427 0.00 0.00 +0.223 A ATOM 32 N LIG 1 -3.528 1.567 0.251 0.00 0.00 -0.181 NA ATOM 33 C LIG 1 -4.779 1.702 -0.178 0.00 0.00 +0.223 A ATOM 34 N LIG 1 -5.557 0.661 -0.440 0.00 0.00 -0.194 NA BRANCH 29 39 ATOM 35 C LIG 1 -7.433 -4.026 -1.114 0.00 0.00 +0.027 A ATOM 36 C LIG 1 -8.033 -2.801 -0.831 0.00 0.00 +0.061 A ATOM 37 C LIG 1 -7.255 -1.671 -0.557 0.00 0.00 +0.136 A ATOM 38 F LIG 1 -7.912 -0.528 -0.301 0.00 0.00 -0.205 F ATOM 39 C LIG 1 -5.855 -1.723 -0.516 0.00 0.00 +0.055 A ATOM 40 C LIG 1 -5.269 -2.985 -0.739 0.00 0.00 +0.016 A ATOM 41 C LIG 1 -6.046 -4.119 -1.014 0.00 0.00 +0.023 A BRANCH 35 42 ATOM 42 N LIG 1 -8.209 -5.178 -1.267 0.00 0.00 -0.358 N ATOM 43 H LIG 1 -7.742 -5.934 -1.759 0.00 0.00 +0.142 HD ATOM 44 H LIG 1 -9.144 -5.007 -1.625 0.00 0.00 +0.142 HD ENDBRANCH 35 42 ENDBRANCH 29 39 BRANCH 33 45 ATOM 45 N LIG 1 -5.285 2.988 -0.395 0.00 0.00 -0.295 N ATOM 46 C LIG 1 -4.601 4.040 0.372 0.00 0.00 +0.136 C ATOM 47 C LIG 1 -5.169 5.418 -0.001 0.00 0.00 +0.179 C ATOM 48 O LIG 1 -6.593 5.467 0.174 0.00 0.00 -0.377 OA ATOM 49 C LIG 1 -7.223 4.490 -0.670 0.00 0.00 +0.179 C ATOM 50 C LIG 1 -6.756 3.066 -0.333 0.00 0.00 +0.136 C ENDBRANCH 33 45 ENDBRANCH 1 31 TORSDOF 7