REMARK Name = BDB056810 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.868 -1.277 -1.194 0.00 0.00 +0.096 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.452 -0.443 -1.359 0.00 0.00 +0.043 C ATOM 3 C LIG 1 1.655 -1.018 -0.587 0.00 0.00 +0.114 C ATOM 4 N LIG 1 2.798 -0.092 -0.613 0.00 0.00 -0.301 N ATOM 5 C LIG 1 3.549 0.071 0.544 0.00 0.00 +0.216 C ATOM 6 O LIG 1 3.339 -0.587 1.566 0.00 0.00 -0.276 OA ATOM 7 C LIG 1 2.994 0.679 -1.840 0.00 0.00 +0.108 C ATOM 8 C LIG 1 2.354 0.007 -3.045 0.00 0.00 +0.019 C ATOM 9 C LIG 1 0.859 -0.249 -2.843 0.00 0.00 +0.010 C BRANCH 5 10 ATOM 10 C LIG 1 4.687 1.078 0.528 0.00 0.00 +0.099 C BRANCH 10 11 ATOM 11 C LIG 1 6.008 0.448 0.055 0.00 0.00 +0.000 C ATOM 12 C LIG 1 7.074 1.527 -0.217 0.00 0.00 +0.019 C ATOM 13 C LIG 1 8.042 1.676 0.953 0.00 0.00 +0.081 C ATOM 14 N LIG 1 8.786 0.446 1.222 0.00 0.00 -0.316 NA ATOM 15 H LIG 1 9.109 0.458 2.190 0.00 0.00 +0.122 HD ATOM 16 C LIG 1 8.029 -0.781 0.967 0.00 0.00 +0.081 C ATOM 17 C LIG 1 6.520 -0.591 1.073 0.00 0.00 +0.019 C ENDBRANCH 10 11 ENDBRANCH 5 10 ENDBRANCH 1 2 BRANCH 1 19 ATOM 18 C LIG 1 -2.726 0.486 -1.851 0.00 0.00 +0.023 A ATOM 19 C LIG 1 -2.006 -0.720 -2.095 0.00 0.00 -0.005 A ATOM 20 C LIG 1 -2.338 -1.447 -3.272 0.00 0.00 +0.007 A ATOM 21 C LIG 1 -3.348 -1.045 -4.148 0.00 0.00 +0.003 A ATOM 22 C LIG 1 -4.059 0.111 -3.886 0.00 0.00 +0.039 A ATOM 23 C LIG 1 -3.744 0.860 -2.760 0.00 0.00 +0.131 A ATOM 24 F LIG 1 -4.442 1.989 -2.555 0.00 0.00 -0.205 F BRANCH 18 27 ATOM 25 C LIG 1 -3.084 2.242 1.497 0.00 0.00 -0.047 A ATOM 26 C LIG 1 -3.283 1.353 0.429 0.00 0.00 +0.012 A ATOM 27 C LIG 1 -2.486 1.405 -0.727 0.00 0.00 -0.015 A ATOM 28 C LIG 1 -1.525 2.423 -0.822 0.00 0.00 +0.008 A ATOM 29 C LIG 1 -1.321 3.317 0.230 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -2.094 3.224 1.387 0.00 0.00 +0.003 A BRANCH 25 32 ATOM 31 C LIG 1 -5.284 2.869 2.529 0.00 0.00 +0.009 C ATOM 32 C LIG 1 -3.953 2.159 2.725 0.00 0.00 +0.032 C ENDBRANCH 25 32 ENDBRANCH 18 27 ENDBRANCH 1 19 BRANCH 1 33 ATOM 33 O LIG 1 -0.526 -2.618 -1.614 0.00 0.00 -0.384 OA ATOM 34 H LIG 1 -1.330 -3.160 -1.546 0.00 0.00 +0.211 HD ENDBRANCH 1 33 BRANCH 1 35 ATOM 35 C LIG 1 -1.268 -1.428 0.304 0.00 0.00 +0.041 C BRANCH 35 36 ATOM 36 C LIG 1 -2.586 -2.177 0.564 0.00 0.00 +0.022 C BRANCH 36 37 ATOM 37 C LIG 1 -2.898 -2.223 2.061 0.00 0.00 +0.107 C BRANCH 37 38 ATOM 38 N LIG 1 -4.135 -2.921 2.321 0.00 0.00 -0.281 N ATOM 39 H LIG 1 -4.138 -3.912 2.512 0.00 0.00 +0.152 HD ATOM 40 C LIG 1 -5.355 -2.325 2.225 0.00 0.00 +0.400 C ATOM 41 O LIG 1 -5.552 -1.152 1.950 0.00 0.00 -0.226 OA BRANCH 40 42 ATOM 42 O LIG 1 -6.316 -3.245 2.475 0.00 0.00 -0.454 OA ATOM 43 C LIG 1 -7.645 -2.728 2.399 0.00 0.00 +0.282 C ENDBRANCH 40 42 ENDBRANCH 37 38 ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 1 35 TORSDOF 12