REMARK Name = BDB060551 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 0.439 -0.734 2.053 0.00 0.00 -0.456 OA ENDROOT BRANCH 1 10 ATOM 2 C LIG 1 6.126 0.041 -2.443 0.00 0.00 +0.086 C ATOM 3 C LIG 1 4.953 0.187 -1.546 0.00 0.00 +0.107 A ATOM 4 N LIG 1 4.320 -0.875 -0.936 0.00 0.00 -0.331 N ATOM 5 C LIG 1 4.697 -2.260 -1.074 0.00 0.00 +0.150 C ATOM 6 C LIG 1 3.277 -0.383 -0.187 0.00 0.00 +0.072 A ATOM 7 C LIG 1 3.341 0.995 -0.383 0.00 0.00 +0.090 A ATOM 8 C LIG 1 2.412 1.832 0.254 0.00 0.00 +0.033 A ATOM 9 C LIG 1 1.432 1.257 1.071 0.00 0.00 +0.048 A ATOM 10 C LIG 1 1.372 -0.130 1.234 0.00 0.00 +0.131 A ATOM 11 C LIG 1 2.305 -0.980 0.627 0.00 0.00 +0.074 A ATOM 12 N LIG 1 4.375 1.325 -1.220 0.00 0.00 -0.233 NA ENDBRANCH 1 10 BRANCH 1 13 ATOM 13 C LIG 1 -0.876 -0.355 1.899 0.00 0.00 +0.129 A ATOM 14 C LIG 1 -1.496 -0.257 0.645 0.00 0.00 +0.054 A ATOM 15 C LIG 1 -2.854 0.104 0.515 0.00 0.00 +0.003 A ATOM 16 C LIG 1 -3.556 0.338 1.716 0.00 0.00 +0.121 A ATOM 17 C LIG 1 -2.947 0.215 2.971 0.00 0.00 +0.049 A ATOM 18 C LIG 1 -1.605 -0.139 3.061 0.00 0.00 +0.050 A BRANCH 15 19 ATOM 19 C LIG 1 -3.519 0.231 -0.873 0.00 0.00 -0.009 C ATOM 20 C LIG 1 -2.558 -0.067 -2.053 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -4.037 1.670 -1.093 0.00 0.00 +0.015 C ATOM 22 C LIG 1 -4.687 -0.772 -1.004 0.00 0.00 +0.015 C ENDBRANCH 15 19 BRANCH 16 23 ATOM 23 O LIG 1 -4.877 0.691 1.674 0.00 0.00 -0.506 OA ATOM 24 H LIG 1 -5.205 0.817 2.579 0.00 0.00 +0.292 HD ENDBRANCH 16 23 ENDBRANCH 1 13 TORSDOF 4