REMARK Name = BDB062890 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -1.792 -1.679 -1.019 0.00 0.00 +0.213 C ENDROOT BRANCH 1 4 ATOM 2 C LIG 1 1.666 -1.991 -2.670 0.00 0.00 -0.032 A ATOM 3 C LIG 1 0.649 -1.903 -1.703 0.00 0.00 +0.011 A ATOM 4 C LIG 1 -0.702 -1.782 -2.069 0.00 0.00 -0.016 A ATOM 5 C LIG 1 -1.023 -1.734 -3.432 0.00 0.00 +0.006 A ATOM 6 C LIG 1 -0.022 -1.819 -4.401 0.00 0.00 +0.001 A ATOM 7 C LIG 1 1.316 -1.944 -4.023 0.00 0.00 +0.005 A BRANCH 2 8 ATOM 8 C LIG 1 3.110 -2.102 -2.239 0.00 0.00 +0.141 C BRANCH 8 9 ATOM 9 N LIG 1 3.301 -3.250 -1.359 0.00 0.00 -0.186 NA ATOM 10 H LIG 1 3.153 -4.182 -1.738 0.00 0.00 +0.148 HD BRANCH 9 11 ATOM 11 S LIG 1 4.507 -3.162 -0.197 0.00 0.00 +0.062 S ATOM 12 O LIG 1 5.621 -2.460 -0.795 0.00 0.00 -0.153 OA ATOM 13 O LIG 1 4.658 -4.510 0.312 0.00 0.00 -0.153 OA BRANCH 11 15 ATOM 14 C LIG 1 4.095 -0.917 1.427 0.00 0.00 +0.146 A ATOM 15 C LIG 1 3.697 -2.211 1.071 0.00 0.00 +0.147 A ATOM 16 C LIG 1 2.611 -2.830 1.718 0.00 0.00 +0.032 A ATOM 17 C LIG 1 1.907 -2.158 2.714 0.00 0.00 +0.002 A ATOM 18 C LIG 1 2.298 -0.875 3.079 0.00 0.00 +0.004 A ATOM 19 C LIG 1 3.383 -0.262 2.442 0.00 0.00 +0.047 A BRANCH 14 21 ATOM 20 C LIG 1 5.659 0.882 1.228 0.00 0.00 +0.277 C ATOM 21 O LIG 1 5.133 -0.347 0.748 0.00 0.00 -0.493 OA ENDBRANCH 14 21 ENDBRANCH 11 15 ENDBRANCH 9 11 ENDBRANCH 8 9 ENDBRANCH 2 8 ENDBRANCH 1 4 BRANCH 1 22 ATOM 22 N LIG 1 -1.652 -0.424 -0.287 0.00 0.00 -0.295 N ATOM 23 H LIG 1 -0.719 -0.155 0.001 0.00 0.00 +0.150 HD ATOM 24 C LIG 1 -2.728 0.137 0.353 0.00 0.00 +0.246 C ATOM 25 O LIG 1 -3.884 -0.241 0.232 0.00 0.00 -0.270 OA BRANCH 24 26 ATOM 26 C LIG 1 -2.389 1.243 1.267 0.00 0.00 +0.045 A ATOM 27 C LIG 1 -2.848 2.538 1.072 0.00 0.00 +0.006 A ATOM 28 C LIG 1 -3.677 3.174 0.058 0.00 0.00 -0.006 A ATOM 29 C LIG 1 -3.796 4.545 0.354 0.00 0.00 +0.030 A ATOM 30 C LIG 1 -3.028 4.809 1.586 0.00 0.00 +0.194 C ATOM 31 O LIG 1 -2.887 5.876 2.144 0.00 0.00 -0.287 OA ATOM 32 C LIG 1 -4.521 5.440 -0.411 0.00 0.00 +0.012 A ATOM 33 C LIG 1 -5.170 4.932 -1.534 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -5.074 3.566 -1.855 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -4.325 2.682 -1.063 0.00 0.00 +0.009 A ATOM 36 C LIG 1 -2.451 3.517 2.004 0.00 0.00 +0.031 A ATOM 37 C LIG 1 -1.646 3.268 3.105 0.00 0.00 +0.012 A ATOM 38 C LIG 1 -1.204 1.961 3.290 0.00 0.00 +0.001 A ATOM 39 C LIG 1 -1.568 0.955 2.378 0.00 0.00 +0.014 A ENDBRANCH 24 26 ENDBRANCH 1 22 BRANCH 1 40 ATOM 40 C LIG 1 -1.743 -2.851 -0.023 0.00 0.00 +0.330 C ATOM 41 O LIG 1 -1.222 -2.847 1.087 0.00 0.00 -0.249 OA BRANCH 40 42 ATOM 42 OXT LIG 1 -2.311 -3.982 -0.500 0.00 0.00 -0.479 OA ATOM 43 HXT LIG 1 -2.208 -4.636 0.224 0.00 0.00 +0.295 HD ENDBRANCH 40 42 ENDBRANCH 1 40 TORSDOF 10