REMARK Name = BDB037479 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.304 2.438 0.255 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -1.166 1.329 0.276 0.00 0.00 +0.136 A ATOM 3 C LIG 1 -0.817 0.054 -0.124 0.00 0.00 +0.035 A ATOM 4 C LIG 1 -2.046 -0.640 -0.317 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -3.075 0.151 0.042 0.00 0.00 -0.160 NA ATOM 6 C LIG 1 0.588 -0.325 -0.431 0.00 0.00 +0.084 C ATOM 7 C LIG 1 1.306 0.909 -1.007 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -2.498 1.215 0.661 0.00 0.00 -0.217 N ATOM 9 C LIG 1 0.986 2.243 -0.280 0.00 0.00 +0.242 C ATOM 10 O LIG 1 1.843 3.137 -0.274 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -2.230 -2.018 -0.827 0.00 0.00 +0.268 C ATOM 12 N LIG 1 -3.494 -2.424 -1.265 0.00 0.00 -0.278 N ATOM 13 C LIG 1 -3.711 -3.869 -1.477 0.00 0.00 +0.193 C ATOM 14 C LIG 1 -5.121 -4.161 -2.062 0.00 0.00 +0.118 C ATOM 15 N LIG 1 -5.497 -3.395 -3.264 0.00 0.00 -0.312 NA ATOM 16 H LIG 1 -5.217 -3.896 -4.108 0.00 0.00 +0.122 HD ATOM 17 C LIG 1 -4.902 -2.051 -3.278 0.00 0.00 +0.100 C ATOM 18 C LIG 1 -4.463 -1.519 -1.898 0.00 0.00 +0.124 C ATOM 19 O LIG 1 -1.291 -2.814 -0.844 0.00 0.00 -0.268 OA BRANCH 13 20 ATOM 20 C LIG 1 -3.568 -4.649 -0.223 0.00 0.00 +0.086 C ATOM 21 N LIG 1 -3.489 -5.279 0.750 0.00 0.00 -0.195 NA ENDBRANCH 13 20 ENDBRANCH 4 11 BRANCH 6 22 ATOM 22 C LIG 1 1.157 -0.907 0.862 0.00 0.00 -0.037 A ATOM 23 C LIG 1 1.370 -2.299 0.935 0.00 0.00 +0.007 A ATOM 24 C LIG 1 1.899 -2.890 2.083 0.00 0.00 +0.038 A ATOM 25 C LIG 1 2.227 -2.097 3.171 0.00 0.00 +0.123 A ATOM 26 F LIG 1 2.741 -2.660 4.272 0.00 0.00 -0.205 F ATOM 27 C LIG 1 2.033 -0.723 3.132 0.00 0.00 +0.038 A ATOM 28 C LIG 1 1.500 -0.130 1.984 0.00 0.00 +0.007 A ENDBRANCH 6 22 BRANCH 8 29 ATOM 29 C LIG 1 -3.252 1.924 1.632 0.00 0.00 +0.067 A ATOM 30 C LIG 1 -4.646 1.995 1.510 0.00 0.00 +0.028 A ATOM 31 C LIG 1 -5.398 2.668 2.474 0.00 0.00 +0.002 A ATOM 32 C LIG 1 -4.765 3.247 3.574 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -3.383 3.138 3.722 0.00 0.00 +0.002 A ATOM 34 C LIG 1 -2.627 2.467 2.759 0.00 0.00 +0.028 A ENDBRANCH 8 29 BRANCH 7 35 ATOM 35 N LIG 1 2.762 0.764 -1.100 0.00 0.00 -0.299 N ATOM 36 H LIG 1 3.304 1.550 -0.754 0.00 0.00 +0.150 HD ATOM 37 C LIG 1 3.340 -0.118 -1.982 0.00 0.00 +0.245 C ATOM 38 O LIG 1 2.687 -0.857 -2.709 0.00 0.00 -0.270 OA BRANCH 37 39 ATOM 39 C LIG 1 4.827 -0.110 -2.043 0.00 0.00 +0.037 A ATOM 40 C LIG 1 5.610 0.257 -0.939 0.00 0.00 +0.025 A ATOM 41 C LIG 1 7.013 0.257 -1.029 0.00 0.00 +0.056 A ATOM 42 C LIG 1 7.617 -0.135 -2.234 0.00 0.00 +0.012 A ATOM 43 C LIG 1 6.840 -0.521 -3.327 0.00 0.00 +0.001 A ATOM 44 C LIG 1 5.448 -0.512 -3.230 0.00 0.00 +0.013 A BRANCH 41 45 ATOM 45 C LIG 1 7.867 0.640 0.155 0.00 0.00 +0.417 C ATOM 46 F LIG 1 8.879 1.487 -0.180 0.00 0.00 -0.166 F ATOM 47 F LIG 1 8.456 -0.437 0.741 0.00 0.00 -0.166 F ATOM 48 F LIG 1 7.168 1.269 1.142 0.00 0.00 -0.166 F ENDBRANCH 41 45 ENDBRANCH 37 39 ENDBRANCH 7 35 BRANCH 1 50 ATOM 49 C LIG 1 0.001 4.469 1.702 0.00 0.00 +0.025 C ATOM 50 C LIG 1 -0.699 3.828 0.508 0.00 0.00 +0.112 C ENDBRANCH 1 50 TORSDOF 8