REMARK Name = BDB010166 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.411 -1.258 -0.469 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.112 -0.976 -0.878 0.00 0.00 +0.130 A ATOM 3 C LIG 1 0.487 -1.755 -1.856 0.00 0.00 +0.185 A ATOM 4 N LIG 1 1.753 -1.335 -2.134 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 1.980 -0.344 -1.307 0.00 0.00 +0.202 A ATOM 6 N LIG 1 -0.100 -2.800 -2.456 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 -1.333 -3.032 -1.990 0.00 0.00 +0.242 A ATOM 8 N LIG 1 0.862 -0.058 -0.548 0.00 0.00 -0.303 N ATOM 9 N LIG 1 -1.997 -2.327 -1.044 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 3.138 0.365 -1.166 0.00 0.00 -0.294 N ATOM 11 C LIG 1 4.239 -0.338 -0.444 0.00 0.00 +0.106 C ATOM 12 C LIG 1 4.854 -1.456 -1.309 0.00 0.00 +0.027 C ATOM 13 C LIG 1 5.073 -1.020 -2.762 0.00 0.00 +0.004 C ATOM 14 C LIG 1 4.940 0.487 -2.934 0.00 0.00 +0.019 C ATOM 15 C LIG 1 3.593 1.007 -2.424 0.00 0.00 +0.108 C BRANCH 11 16 ATOM 16 C LIG 1 3.836 -0.748 0.971 0.00 0.00 -0.027 A ATOM 17 C LIG 1 4.060 0.144 2.035 0.00 0.00 +0.005 A ATOM 18 C LIG 1 3.672 -0.179 3.337 0.00 0.00 +0.000 A ATOM 19 C LIG 1 3.050 -1.397 3.595 0.00 0.00 +0.000 A ATOM 20 C LIG 1 2.814 -2.291 2.554 0.00 0.00 +0.000 A ATOM 21 C LIG 1 3.204 -1.970 1.252 0.00 0.00 +0.005 A ENDBRANCH 11 16 ENDBRANCH 5 10 BRANCH 1 22 ATOM 22 N LIG 1 -2.095 -0.512 0.482 0.00 0.00 -0.324 N ATOM 23 H LIG 1 -1.849 0.468 0.457 0.00 0.00 +0.148 HD BRANCH 22 25 ATOM 24 C LIG 1 -4.285 0.017 -0.486 0.00 0.00 +0.028 C ATOM 25 C LIG 1 -3.539 -0.730 0.624 0.00 0.00 +0.072 C BRANCH 25 26 ATOM 26 C LIG 1 -3.982 -0.176 1.991 0.00 0.00 +0.009 C ATOM 27 C LIG 1 -5.400 -0.578 2.487 0.00 0.00 +0.005 C ATOM 28 C LIG 1 -4.744 -1.730 3.271 0.00 0.00 +0.001 C ATOM 29 C LIG 1 -3.434 -0.921 3.241 0.00 0.00 +0.005 C ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 1 22 BRANCH 7 30 ATOM 30 C LIG 1 -2.054 -4.206 -2.600 0.00 0.00 +0.375 C ATOM 31 O LIG 1 -1.631 -4.962 -3.459 0.00 0.00 -0.242 OA BRANCH 30 32 ATOM 32 O LIG 1 -3.301 -4.391 -2.104 0.00 0.00 -0.475 OA ATOM 33 H LIG 1 -3.628 -5.177 -2.585 0.00 0.00 +0.296 HD ENDBRANCH 30 32 ENDBRANCH 7 30 BRANCH 8 34 ATOM 34 C LIG 1 0.785 0.982 0.467 0.00 0.00 +0.160 C BRANCH 34 35 ATOM 35 C LIG 1 -0.085 2.158 0.071 0.00 0.00 -0.025 A ATOM 36 C LIG 1 -0.817 2.829 1.063 0.00 0.00 +0.044 A ATOM 37 C LIG 1 -1.618 3.920 0.734 0.00 0.00 +0.135 A ATOM 38 F LIG 1 -2.307 4.526 1.709 0.00 0.00 -0.205 F ATOM 39 C LIG 1 -1.710 4.382 -0.576 0.00 0.00 +0.090 A ATOM 40 C LIG 1 -0.956 3.738 -1.566 0.00 0.00 +0.015 A ATOM 41 C LIG 1 -0.146 2.643 -1.245 0.00 0.00 +0.006 A BRANCH 39 42 ATOM 42 C LIG 1 -2.580 5.564 -0.880 0.00 0.00 +0.420 C ATOM 43 F LIG 1 -3.839 5.449 -0.375 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -2.074 6.729 -0.389 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -2.743 5.771 -2.220 0.00 0.00 -0.166 F ENDBRANCH 39 42 ENDBRANCH 34 35 ENDBRANCH 8 34 TORSDOF 10