REMARK Name = BDB008766 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.359 -0.946 -1.164 0.00 0.00 +0.127 A ATOM 2 N LIG 1 -1.127 -1.133 -0.670 0.00 0.00 -0.224 NA ATOM 3 C LIG 1 -0.312 -0.065 -0.575 0.00 0.00 +0.116 A ATOM 4 C LIG 1 -0.681 1.220 -0.926 0.00 0.00 +0.047 A ATOM 5 C LIG 1 -1.976 1.428 -1.403 0.00 0.00 +0.008 A ATOM 6 C LIG 1 -2.814 0.313 -1.541 0.00 0.00 +0.054 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -2.439 2.753 -1.788 0.00 0.00 +0.100 A ATOM 8 C LIG 1 -2.586 3.841 -0.935 0.00 0.00 +0.113 A ATOM 9 C LIG 1 -2.993 5.059 -1.458 0.00 0.00 +0.115 A ATOM 10 C LIG 1 -3.022 5.953 -0.364 0.00 0.00 +0.086 A ATOM 11 N LIG 1 -2.673 5.345 0.778 0.00 0.00 -0.174 NA ATOM 12 C LIG 1 -3.370 7.393 -0.375 0.00 0.00 +0.070 C ATOM 13 N LIG 1 -3.276 5.254 -2.764 0.00 0.00 -0.232 NA ATOM 14 C LIG 1 -3.140 4.149 -3.505 0.00 0.00 +0.222 A ATOM 15 N LIG 1 -2.448 4.064 0.411 0.00 0.00 -0.263 N ATOM 16 C LIG 1 -2.136 3.109 1.449 0.00 0.00 +0.173 C ATOM 17 N LIG 1 -2.754 2.928 -3.095 0.00 0.00 -0.233 NA ENDBRANCH 5 7 BRANCH 1 19 ATOM 18 C LIG 1 -2.980 -3.336 -0.969 0.00 0.00 +0.235 C ATOM 19 N LIG 1 -3.243 -2.022 -1.321 0.00 0.00 -0.269 N ATOM 20 H LIG 1 -4.143 -1.815 -1.728 0.00 0.00 +0.156 HD ATOM 21 O LIG 1 -1.955 -3.769 -0.447 0.00 0.00 -0.274 OA BRANCH 18 22 ATOM 22 C LIG 1 -4.155 -4.280 -1.325 0.00 0.00 +0.137 C ATOM 23 C LIG 1 -4.076 -4.632 -2.809 0.00 0.00 +0.034 C BRANCH 22 25 ATOM 24 C LIG 1 -4.512 -5.316 0.845 0.00 0.00 +0.101 C ATOM 25 N LIG 1 -4.094 -5.529 -0.536 0.00 0.00 -0.309 NA ATOM 26 H LIG 1 -3.111 -5.825 -0.523 0.00 0.00 +0.122 HD ENDBRANCH 22 25 ENDBRANCH 18 22 ENDBRANCH 1 19 BRANCH 3 27 ATOM 27 C LIG 1 0.990 -0.347 -0.064 0.00 0.00 -0.041 C ATOM 28 C LIG 1 2.082 -0.595 0.371 0.00 0.00 -0.060 C BRANCH 28 29 ATOM 29 C LIG 1 3.373 -0.910 0.896 0.00 0.00 +0.026 A ATOM 30 C LIG 1 4.418 0.009 0.798 0.00 0.00 +0.026 A ATOM 31 C LIG 1 5.687 -0.302 1.319 0.00 0.00 +0.002 A ATOM 32 C LIG 1 5.916 -1.545 1.945 0.00 0.00 +0.071 A ATOM 33 N LIG 1 7.112 -1.883 2.457 0.00 0.00 -0.252 NA ATOM 34 C LIG 1 8.133 -0.998 2.367 0.00 0.00 +0.039 A ATOM 35 C LIG 1 7.994 0.247 1.767 0.00 0.00 +0.023 A ATOM 36 C LIG 1 9.450 -1.409 2.951 0.00 0.00 +0.065 C ATOM 37 C LIG 1 4.859 -2.442 2.027 0.00 0.00 +0.029 A ATOM 38 C LIG 1 6.757 0.597 1.238 0.00 0.00 +0.012 A ATOM 39 C LIG 1 3.594 -2.139 1.511 0.00 0.00 +0.019 A ENDBRANCH 28 29 ENDBRANCH 3 27 TORSDOF 6