REMARK Name = BDB064134 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.337 1.094 -3.065 0.00 0.00 +0.164 C ATOM 2 N LIG 1 -2.083 0.929 -1.811 0.00 0.00 -0.286 N ATOM 3 C LIG 1 -1.698 0.014 -0.860 0.00 0.00 +0.237 C ATOM 4 O LIG 1 -0.678 -0.668 -1.020 0.00 0.00 -0.274 OA ATOM 5 C LIG 1 -3.358 1.636 -1.875 0.00 0.00 +0.140 C ATOM 6 C LIG 1 -3.267 2.505 -3.130 0.00 0.00 +0.134 C ATOM 7 C LIG 1 -2.359 1.681 -4.037 0.00 0.00 +0.065 C ENDROOT BRANCH 1 10 ATOM 8 N LIG 1 0.856 1.498 -2.055 0.00 0.00 -0.310 N ATOM 9 H LIG 1 0.641 0.635 -1.555 0.00 0.00 +0.149 HD ATOM 10 C LIG 1 -0.142 2.042 -2.833 0.00 0.00 +0.234 C ATOM 11 O LIG 1 -0.086 3.180 -3.292 0.00 0.00 -0.274 OA BRANCH 8 12 ATOM 12 C LIG 1 1.939 2.316 -1.563 0.00 0.00 +0.143 C BRANCH 12 14 ATOM 13 C LIG 1 2.976 1.584 0.648 0.00 0.00 +0.125 A ATOM 14 C LIG 1 2.913 1.497 -0.755 0.00 0.00 +0.011 A ATOM 15 C LIG 1 3.764 0.603 -1.427 0.00 0.00 +0.009 A ATOM 16 C LIG 1 4.668 -0.189 -0.720 0.00 0.00 +0.009 A ATOM 17 C LIG 1 4.736 -0.106 0.673 0.00 0.00 -0.006 A ATOM 18 C LIG 1 3.884 0.781 1.349 0.00 0.00 +0.055 A BRANCH 17 19 ATOM 19 C LIG 1 5.663 -0.948 1.429 0.00 0.00 +0.042 A ATOM 20 C LIG 1 5.414 -1.917 2.392 0.00 0.00 +0.053 A ATOM 21 C LIG 1 4.084 -2.370 2.883 0.00 0.00 +0.067 C ATOM 22 N LIG 1 6.546 -2.508 2.935 0.00 0.00 -0.252 NA ATOM 23 C LIG 1 7.621 -1.996 2.379 0.00 0.00 +0.156 A ATOM 24 S LIG 1 7.359 -0.788 1.196 0.00 0.00 -0.075 S ENDBRANCH 17 19 BRANCH 13 26 ATOM 25 C LIG 1 2.268 2.719 2.627 0.00 0.00 +0.277 C ATOM 26 O LIG 1 2.103 2.461 1.238 0.00 0.00 -0.495 OA ENDBRANCH 13 26 ENDBRANCH 12 14 ENDBRANCH 8 12 ENDBRANCH 1 10 BRANCH 6 27 ATOM 27 O LIG 1 -4.536 2.707 -3.727 0.00 0.00 -0.390 OA ATOM 28 H LIG 1 -4.398 3.260 -4.517 0.00 0.00 +0.210 HD ENDBRANCH 6 27 BRANCH 3 29 ATOM 29 C LIG 1 -2.544 -0.127 0.431 0.00 0.00 +0.164 C BRANCH 29 30 ATOM 30 C LIG 1 -1.906 0.588 1.666 0.00 0.00 -0.011 C ATOM 31 C LIG 1 -1.717 2.093 1.392 0.00 0.00 +0.013 C ATOM 32 C LIG 1 -0.538 -0.002 2.067 0.00 0.00 +0.013 C ATOM 33 C LIG 1 -2.860 0.447 2.873 0.00 0.00 +0.013 C ENDBRANCH 29 30 BRANCH 29 34 ATOM 34 N LIG 1 -2.675 -1.572 0.641 0.00 0.00 -0.302 N ATOM 35 H LIG 1 -1.810 -2.079 0.791 0.00 0.00 +0.150 HD ATOM 36 C LIG 1 -3.714 -2.270 0.068 0.00 0.00 +0.234 C ATOM 37 O LIG 1 -4.685 -1.747 -0.463 0.00 0.00 -0.274 OA BRANCH 36 38 ATOM 38 C LIG 1 -3.569 -3.755 0.100 0.00 0.00 +0.133 C ATOM 39 C LIG 1 -3.753 -4.524 -1.202 0.00 0.00 +0.033 C ATOM 40 C LIG 1 -2.381 -4.390 -0.615 0.00 0.00 +0.033 C BRANCH 38 41 ATOM 41 C LIG 1 -4.042 -4.381 1.308 0.00 0.00 +0.079 C ATOM 42 N LIG 1 -4.391 -4.906 2.283 0.00 0.00 -0.195 NA ENDBRANCH 38 41 ENDBRANCH 36 38 ENDBRANCH 29 34 ENDBRANCH 3 29 TORSDOF 11