REMARK Name = BDB034263 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 4.684 0.130 -0.118 0.00 0.00 -0.282 N ATOM 2 C LIG 1 4.018 0.470 1.051 0.00 0.00 +0.248 C ATOM 3 O LIG 1 4.336 1.288 1.892 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.803 -0.353 1.101 0.00 0.00 +0.042 A ATOM 5 C LIG 1 2.733 -1.095 -0.078 0.00 0.00 -0.015 A ATOM 6 C LIG 1 1.681 -1.969 -0.292 0.00 0.00 +0.051 A ATOM 7 C LIG 1 0.703 -2.064 0.704 0.00 0.00 +0.121 A ATOM 8 C LIG 1 0.791 -1.325 1.895 0.00 0.00 +0.046 A ATOM 9 C LIG 1 1.853 -0.443 2.101 0.00 0.00 +0.017 A ATOM 10 C LIG 1 3.894 -0.766 -0.953 0.00 0.00 +0.144 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 8.454 4.005 -1.181 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 7.665 3.094 -0.943 0.00 0.00 +0.219 C ATOM 13 N LIG 1 6.350 3.179 -1.321 0.00 0.00 -0.255 N ATOM 14 H LIG 1 6.075 4.037 -1.778 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 5.399 2.183 -1.296 0.00 0.00 +0.240 C ATOM 16 O LIG 1 4.320 2.340 -1.867 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 5.830 0.855 -0.655 0.00 0.00 +0.163 C ATOM 18 C LIG 1 6.948 1.084 0.362 0.00 0.00 +0.041 C ATOM 19 C LIG 1 8.108 1.792 -0.318 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 7 20 ATOM 20 O LIG 1 -0.337 -2.945 0.580 0.00 0.00 -0.487 OA BRANCH 20 21 ATOM 21 C LIG 1 -1.292 -2.538 -0.427 0.00 0.00 +0.190 C ATOM 22 C LIG 1 -2.620 -2.121 0.297 0.00 0.00 +0.097 C ATOM 23 C LIG 1 -3.849 -2.546 -0.529 0.00 0.00 +0.022 C ATOM 24 C LIG 1 -3.893 -4.062 -0.748 0.00 0.00 +0.002 C ATOM 25 C LIG 1 -2.515 -4.711 -0.859 0.00 0.00 +0.004 C ATOM 26 C LIG 1 -1.475 -3.731 -1.381 0.00 0.00 +0.046 C BRANCH 22 27 ATOM 27 N LIG 1 -2.521 -0.705 0.722 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 -2.755 0.285 -0.333 0.00 0.00 +0.094 C ATOM 29 C LIG 1 -4.168 0.574 0.242 0.00 0.00 +0.051 C ATOM 30 C LIG 1 -3.680 -0.220 1.483 0.00 0.00 +0.094 C BRANCH 29 31 ATOM 31 C LIG 1 -4.639 2.095 0.349 0.00 0.00 -0.000 A ATOM 32 C LIG 1 -4.868 2.901 -0.787 0.00 0.00 +0.120 A ATOM 33 C LIG 1 -5.268 4.236 -0.701 0.00 0.00 +0.046 A ATOM 34 C LIG 1 -5.469 4.821 0.542 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -5.273 4.065 1.690 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -4.869 2.728 1.590 0.00 0.00 +0.007 A BRANCH 32 37 ATOM 37 O LIG 1 -4.720 2.415 -2.060 0.00 0.00 -0.506 OA ATOM 38 H LIG 1 -4.566 1.460 -2.021 0.00 0.00 +0.292 HD ENDBRANCH 32 37 ENDBRANCH 29 31 ENDBRANCH 22 27 ENDBRANCH 20 21 ENDBRANCH 7 20 TORSDOF 6