REMARK Name = BDB064839 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.689 -0.638 -0.956 0.00 0.00 +0.017 A ATOM 2 C LIG 1 -1.758 -1.688 -0.931 0.00 0.00 +0.012 A ATOM 3 C LIG 1 -0.538 -1.573 -1.605 0.00 0.00 +0.014 A ATOM 4 C LIG 1 -0.237 -0.399 -2.302 0.00 0.00 +0.037 A ATOM 5 C LIG 1 -1.158 0.647 -2.353 0.00 0.00 +0.014 A ATOM 6 C LIG 1 -2.372 0.529 -1.671 0.00 0.00 +0.012 A ENDROOT BRANCH 1 12 ATOM 7 C LIG 1 -6.973 0.427 1.270 0.00 0.00 +0.064 A ATOM 8 C LIG 1 -5.853 -0.201 0.695 0.00 0.00 +0.102 A ATOM 9 C LIG 1 -5.795 -1.593 0.702 0.00 0.00 +0.067 A ATOM 10 N LIG 1 -4.610 -1.889 0.077 0.00 0.00 -0.338 N ATOM 11 H LIG 1 -4.271 -2.816 -0.127 0.00 0.00 +0.167 HD ATOM 12 C LIG 1 -3.977 -0.716 -0.261 0.00 0.00 +0.139 A ATOM 13 C LIG 1 -6.791 -2.407 1.247 0.00 0.00 +0.028 A ATOM 14 C LIG 1 -7.896 -1.764 1.814 0.00 0.00 +0.003 A ATOM 15 N LIG 1 -4.716 0.312 0.112 0.00 0.00 -0.227 NA ATOM 16 C LIG 1 -7.991 -0.371 1.828 0.00 0.00 +0.015 A BRANCH 7 20 ATOM 17 N LIG 1 -7.550 2.463 2.431 0.00 0.00 -0.325 N ATOM 18 H LIG 1 -7.519 1.957 3.305 0.00 0.00 +0.145 HD ATOM 19 H LIG 1 -7.493 3.473 2.471 0.00 0.00 +0.145 HD ATOM 20 C LIG 1 -7.093 1.898 1.269 0.00 0.00 +0.244 C ATOM 21 O LIG 1 -6.818 2.592 0.301 0.00 0.00 -0.270 OA ENDBRANCH 7 20 ENDBRANCH 1 12 BRANCH 4 22 ATOM 22 C LIG 1 1.041 -0.268 -3.033 0.00 0.00 +0.247 C ATOM 23 N LIG 1 2.229 -0.363 -2.318 0.00 0.00 -0.295 N ATOM 24 C LIG 1 2.333 -0.299 -0.854 0.00 0.00 +0.127 C ATOM 25 C LIG 1 3.629 0.371 -0.368 0.00 0.00 +0.127 C ATOM 26 N LIG 1 4.837 -0.203 -0.975 0.00 0.00 -0.293 N ATOM 27 C LIG 1 6.108 -0.201 -0.393 0.00 0.00 +0.265 C ATOM 28 O LIG 1 7.021 -0.891 -0.854 0.00 0.00 -0.268 OA ATOM 29 C LIG 1 4.665 -0.887 -2.259 0.00 0.00 +0.127 C ATOM 30 C LIG 1 3.487 -0.333 -3.066 0.00 0.00 +0.127 C ATOM 31 O LIG 1 0.992 -0.090 -4.247 0.00 0.00 -0.270 OA BRANCH 27 32 ATOM 32 C LIG 1 6.407 0.645 0.815 0.00 0.00 +0.126 A ATOM 33 N LIG 1 5.623 1.728 1.062 0.00 0.00 -0.250 NA ATOM 34 C LIG 1 5.949 2.490 2.128 0.00 0.00 +0.111 A ATOM 35 C LIG 1 7.021 2.229 2.966 0.00 0.00 +0.020 A ATOM 36 C LIG 1 7.815 1.122 2.695 0.00 0.00 +0.004 A ATOM 37 C LIG 1 7.510 0.317 1.600 0.00 0.00 +0.033 A ENDBRANCH 27 32 ENDBRANCH 4 22 TORSDOF 4