REMARK Name = BDB013566 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.969 -2.639 3.185 0.00 0.00 +0.044 C ATOM 2 C LIG 1 -0.174 -1.766 2.254 0.00 0.00 -0.046 A ATOM 3 C LIG 1 -0.633 -0.508 1.811 0.00 0.00 -0.028 A ATOM 4 C LIG 1 0.229 0.282 1.027 0.00 0.00 +0.009 A ATOM 5 C LIG 1 1.463 -0.193 0.558 0.00 0.00 -0.039 A ATOM 6 C LIG 1 1.868 -1.470 0.949 0.00 0.00 +0.004 A ATOM 7 C LIG 1 1.073 -2.232 1.806 0.00 0.00 +0.004 A ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 -2.034 0.013 2.090 0.00 0.00 +0.144 C BRANCH 8 9 ATOM 9 N LIG 1 -2.963 0.024 0.906 0.00 0.00 -0.172 NA ATOM 10 S LIG 1 -2.776 1.352 -0.141 0.00 0.00 +0.061 S ATOM 11 O LIG 1 -2.428 2.502 0.668 0.00 0.00 -0.153 OA ATOM 12 O LIG 1 -1.909 0.960 -1.240 0.00 0.00 -0.153 OA ATOM 13 C LIG 1 -4.404 1.649 -0.792 0.00 0.00 +0.109 A ATOM 14 C LIG 1 -5.106 0.666 -1.504 0.00 0.00 -0.021 A ATOM 15 C LIG 1 -6.371 0.999 -2.024 0.00 0.00 +0.005 A ATOM 16 C LIG 1 -6.921 2.267 -1.834 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -6.217 3.230 -1.121 0.00 0.00 +0.002 A ATOM 18 C LIG 1 -4.586 -0.730 -1.720 0.00 0.00 +0.041 C ATOM 19 C LIG 1 -4.418 -1.567 -0.444 0.00 0.00 +0.006 C ATOM 20 C LIG 1 -5.617 -1.503 0.505 0.00 0.00 +0.009 C ATOM 21 C LIG 1 -4.962 2.924 -0.601 0.00 0.00 +0.029 A ATOM 22 C LIG 1 -3.093 -1.319 0.276 0.00 0.00 +0.113 C ENDBRANCH 8 9 ENDBRANCH 3 8 BRANCH 5 23 ATOM 23 C LIG 1 2.259 0.667 -0.419 0.00 0.00 +0.060 C BRANCH 23 24 ATOM 24 C LIG 1 3.787 0.487 -0.345 0.00 0.00 -0.034 A ATOM 25 C LIG 1 4.536 1.095 0.713 0.00 0.00 -0.017 A ATOM 26 C LIG 1 3.883 1.931 1.781 0.00 0.00 +0.046 C ATOM 27 C LIG 1 5.936 0.895 0.729 0.00 0.00 +0.116 A ATOM 28 N LIG 1 6.890 1.361 1.602 0.00 0.00 -0.129 NA ATOM 29 N LIG 1 8.074 0.913 1.205 0.00 0.00 -0.065 NA ATOM 30 N LIG 1 7.871 0.168 0.105 0.00 0.00 -0.247 N ATOM 31 C LIG 1 8.986 -0.452 -0.559 0.00 0.00 +0.175 C ATOM 32 C LIG 1 6.549 0.122 -0.246 0.00 0.00 +0.089 A ATOM 33 C LIG 1 5.850 -0.493 -1.280 0.00 0.00 +0.030 A ATOM 34 C LIG 1 4.465 -0.294 -1.304 0.00 0.00 +0.007 A ENDBRANCH 23 24 BRANCH 23 35 ATOM 35 C LIG 1 1.616 0.681 -1.826 0.00 0.00 +0.133 C BRANCH 35 36 ATOM 36 C LIG 1 1.100 -0.651 -2.324 0.00 0.00 +0.306 C ATOM 37 O LIG 1 1.816 -1.548 -2.746 0.00 0.00 -0.251 OA BRANCH 36 38 ATOM 38 O LIG 1 -0.245 -0.779 -2.299 0.00 0.00 -0.481 OA ATOM 39 H LIG 1 -0.742 -0.012 -1.921 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 23 35 ENDBRANCH 5 23 TORSDOF 7