REMARK Name = BDB013570 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.478 1.754 -4.013 0.00 0.00 +0.044 C ATOM 2 C LIG 1 -0.356 1.028 -3.319 0.00 0.00 -0.046 A ATOM 3 C LIG 1 0.059 1.356 -2.013 0.00 0.00 -0.028 A ATOM 4 C LIG 1 1.125 0.634 -1.428 0.00 0.00 +0.009 A ATOM 5 C LIG 1 1.760 -0.431 -2.087 0.00 0.00 -0.039 A ATOM 6 C LIG 1 1.324 -0.752 -3.380 0.00 0.00 +0.004 A ATOM 7 C LIG 1 0.291 -0.026 -3.989 0.00 0.00 +0.004 A ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 -0.592 2.443 -1.176 0.00 0.00 +0.144 C BRANCH 8 9 ATOM 9 N LIG 1 -1.202 1.893 0.057 0.00 0.00 -0.172 NA ATOM 10 S LIG 1 -0.728 2.630 1.493 0.00 0.00 +0.061 S ATOM 11 O LIG 1 -1.234 3.987 1.504 0.00 0.00 -0.153 OA ATOM 12 O LIG 1 0.694 2.385 1.642 0.00 0.00 -0.153 OA ATOM 13 C LIG 1 -1.590 1.681 2.729 0.00 0.00 +0.109 A ATOM 14 C LIG 1 -2.998 1.701 2.776 0.00 0.00 -0.021 A ATOM 15 C LIG 1 -3.643 0.914 3.744 0.00 0.00 +0.005 A ATOM 16 C LIG 1 -2.905 0.125 4.632 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -1.512 0.118 4.576 0.00 0.00 +0.002 A ATOM 18 C LIG 1 -3.814 2.546 1.823 0.00 0.00 +0.041 C ATOM 19 C LIG 1 -3.751 2.131 0.336 0.00 0.00 +0.006 C ATOM 20 C LIG 1 -3.970 3.352 -0.569 0.00 0.00 +0.009 C ATOM 21 C LIG 1 -0.849 0.897 3.626 0.00 0.00 +0.029 A ATOM 22 C LIG 1 -2.543 1.292 -0.109 0.00 0.00 +0.113 C ENDBRANCH 8 9 ENDBRANCH 3 8 BRANCH 5 23 ATOM 23 C LIG 1 2.885 -1.242 -1.433 0.00 0.00 +0.060 C BRANCH 23 24 ATOM 24 C LIG 1 2.355 -2.247 -0.387 0.00 0.00 -0.036 A ATOM 25 C LIG 1 2.290 -3.639 -0.647 0.00 0.00 -0.045 A ATOM 26 C LIG 1 2.724 -4.237 -1.962 0.00 0.00 +0.044 C ATOM 27 C LIG 1 1.801 -4.514 0.348 0.00 0.00 +0.022 A ATOM 28 C LIG 1 1.377 -4.034 1.588 0.00 0.00 +0.052 A ATOM 29 C LIG 1 1.433 -2.666 1.849 0.00 0.00 +0.019 A ATOM 30 C LIG 1 1.915 -1.786 0.874 0.00 0.00 +0.006 A BRANCH 28 31 ATOM 31 C LIG 1 0.891 -4.941 2.591 0.00 0.00 +0.099 C ATOM 32 N LIG 1 0.501 -5.666 3.410 0.00 0.00 -0.191 NA ENDBRANCH 28 31 ENDBRANCH 23 24 BRANCH 23 33 ATOM 33 C LIG 1 4.012 -0.331 -0.884 0.00 0.00 +0.133 C BRANCH 33 34 ATOM 34 C LIG 1 5.246 -1.136 -0.581 0.00 0.00 +0.306 C ATOM 35 O LIG 1 5.686 -2.067 -1.234 0.00 0.00 -0.251 OA BRANCH 34 36 ATOM 36 O LIG 1 5.906 -0.686 0.508 0.00 0.00 -0.481 OA ATOM 37 H LIG 1 6.684 -1.278 0.579 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 23 33 ENDBRANCH 5 23 TORSDOF 8