REMARK Name = BDB018660 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 6.096 -0.169 0.689 0.00 0.00 -0.268 N ATOM 2 C LIG 1 5.624 1.178 0.254 0.00 0.00 +0.132 C ATOM 3 C LIG 1 4.104 1.040 0.143 0.00 0.00 +0.069 C ATOM 4 C LIG 1 3.407 2.378 0.350 0.00 0.00 +0.225 C ATOM 5 O LIG 1 3.941 3.342 0.894 0.00 0.00 -0.275 OA ATOM 6 N LIG 1 2.085 2.433 -0.009 0.00 0.00 -0.285 N ATOM 7 H LIG 1 1.585 3.271 0.260 0.00 0.00 +0.155 HD ATOM 8 C LIG 1 1.446 1.470 -0.796 0.00 0.00 +0.037 A ATOM 9 C LIG 1 2.197 0.448 -1.383 0.00 0.00 -0.025 A ATOM 10 C LIG 1 1.554 -0.493 -2.191 0.00 0.00 +0.006 A ATOM 11 C LIG 1 0.173 -0.416 -2.393 0.00 0.00 +0.009 A ATOM 12 C LIG 1 -0.591 0.609 -1.809 0.00 0.00 -0.013 A ATOM 13 C LIG 1 0.071 1.559 -1.014 0.00 0.00 +0.032 A ATOM 14 C LIG 1 3.693 0.439 -1.210 0.00 0.00 +0.054 C ATOM 15 C LIG 1 3.804 0.104 1.323 0.00 0.00 +0.037 C ATOM 16 C LIG 1 4.962 -0.886 1.327 0.00 0.00 +0.117 C ENDROOT BRANCH 12 17 ATOM 17 C LIG 1 -2.047 0.687 -2.029 0.00 0.00 +0.024 A ATOM 18 C LIG 1 -2.975 0.707 -0.970 0.00 0.00 +0.129 A ATOM 19 C LIG 1 -4.348 0.826 -1.202 0.00 0.00 +0.046 A ATOM 20 C LIG 1 -4.828 0.889 -2.507 0.00 0.00 +0.004 A ATOM 21 C LIG 1 -3.935 0.849 -3.575 0.00 0.00 +0.001 A ATOM 22 C LIG 1 -2.560 0.752 -3.338 0.00 0.00 +0.012 A BRANCH 18 23 ATOM 23 O LIG 1 -2.565 0.661 0.341 0.00 0.00 -0.487 OA BRANCH 23 24 ATOM 24 C LIG 1 -2.359 -0.692 0.770 0.00 0.00 +0.264 C BRANCH 24 25 ATOM 25 C LIG 1 -3.481 -1.117 1.687 0.00 0.00 -0.010 A ATOM 26 C LIG 1 -4.364 -2.138 1.311 0.00 0.00 +0.007 A ATOM 27 C LIG 1 -5.402 -2.523 2.160 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -5.569 -1.890 3.391 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -4.701 -0.869 3.772 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -3.662 -0.483 2.924 0.00 0.00 +0.007 A ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 18 23 ENDBRANCH 12 17 BRANCH 1 32 ATOM 31 N LIG 1 8.495 -0.778 1.014 0.00 0.00 -0.174 NA ATOM 32 C LIG 1 7.384 -0.493 0.863 0.00 0.00 +0.169 C ENDBRANCH 1 32 TORSDOF 5