REMARK Name = BDB011095 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.134 -1.014 0.036 0.00 0.00 +0.151 A ATOM 2 C LIG 1 -0.798 -0.947 0.424 0.00 0.00 +0.130 A ATOM 3 C LIG 1 -0.338 -1.737 1.465 0.00 0.00 +0.185 A ATOM 4 N LIG 1 0.990 -1.547 1.691 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 1.384 -0.672 0.795 0.00 0.00 +0.201 A ATOM 6 N LIG 1 -1.107 -2.585 2.163 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 -2.376 -2.573 1.754 0.00 0.00 +0.203 A ATOM 8 N LIG 1 0.304 -0.197 0.069 0.00 0.00 -0.307 N ATOM 9 N LIG 1 -2.922 -1.846 0.749 0.00 0.00 -0.207 NA ENDROOT BRANCH 1 15 ATOM 10 C LIG 1 -4.101 -2.831 -2.398 0.00 0.00 +0.039 C ATOM 11 C LIG 1 -3.635 -1.520 -3.026 0.00 0.00 +0.132 C ATOM 12 O LIG 1 -4.755 -0.619 -3.095 0.00 0.00 -0.374 OA ATOM 13 C LIG 1 -4.649 0.519 -2.229 0.00 0.00 +0.179 C ATOM 14 C LIG 1 -4.050 0.154 -0.866 0.00 0.00 +0.134 C ATOM 15 N LIG 1 -2.653 -0.293 -1.037 0.00 0.00 -0.309 N ATOM 16 C LIG 1 -2.376 -0.934 -2.345 0.00 0.00 +0.138 C ENDBRANCH 1 15 BRANCH 7 17 ATOM 17 C LIG 1 -3.322 -3.469 2.455 0.00 0.00 +0.220 A ATOM 18 N LIG 1 -4.605 -3.502 2.057 0.00 0.00 -0.269 N ATOM 19 H LIG 1 -5.022 -2.974 1.309 0.00 0.00 +0.174 HD ATOM 20 C LIG 1 -5.236 -4.383 2.843 0.00 0.00 +0.440 A ATOM 21 O LIG 1 -6.417 -4.681 2.778 0.00 0.00 -0.221 OA ATOM 22 O LIG 1 -4.328 -4.896 3.736 0.00 0.00 -0.295 OA ATOM 23 N LIG 1 -3.074 -4.265 3.444 0.00 0.00 -0.051 NA ENDBRANCH 7 17 BRANCH 5 24 ATOM 24 N LIG 1 2.640 -0.185 0.648 0.00 0.00 -0.289 N ATOM 25 C LIG 1 3.433 -0.407 -0.576 0.00 0.00 +0.132 C ATOM 26 C LIG 1 4.330 0.859 -0.719 0.00 0.00 +0.187 C ATOM 27 O LIG 1 5.082 1.247 0.447 0.00 0.00 -0.376 OA ATOM 28 C LIG 1 4.890 0.397 1.584 0.00 0.00 +0.179 C ATOM 29 C LIG 1 3.422 0.041 1.874 0.00 0.00 +0.136 C BRANCH 25 30 ATOM 30 C LIG 1 4.151 -1.763 -0.617 0.00 0.00 -0.025 A ATOM 31 C LIG 1 3.425 -2.954 -0.425 0.00 0.00 +0.005 A ATOM 32 C LIG 1 4.042 -4.206 -0.494 0.00 0.00 +0.000 A ATOM 33 C LIG 1 5.400 -4.301 -0.773 0.00 0.00 +0.000 A ATOM 34 C LIG 1 6.139 -3.143 -0.984 0.00 0.00 +0.000 A ATOM 35 C LIG 1 5.521 -1.889 -0.913 0.00 0.00 +0.005 A ENDBRANCH 25 30 ENDBRANCH 5 24 BRANCH 8 36 ATOM 36 C LIG 1 0.301 1.002 -0.751 0.00 0.00 +0.128 C BRANCH 36 37 ATOM 37 C LIG 1 0.382 2.316 0.050 0.00 0.00 +0.009 C ATOM 38 C LIG 1 -0.880 2.554 0.896 0.00 0.00 +0.005 C ATOM 39 C LIG 1 -0.830 3.894 1.628 0.00 0.00 +0.003 C ATOM 40 C LIG 1 -0.600 5.062 0.663 0.00 0.00 -0.014 C ATOM 41 C LIG 1 -0.504 6.382 1.426 0.00 0.00 +0.007 C ATOM 42 C LIG 1 0.662 4.830 -0.176 0.00 0.00 +0.003 C ATOM 43 C LIG 1 0.609 3.493 -0.912 0.00 0.00 +0.005 C ENDBRANCH 36 37 ENDBRANCH 8 36 TORSDOF 6