REMARK Name = BDB010482 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.827 -0.708 0.483 0.00 0.00 +0.162 A ATOM 2 N LIG 1 0.576 -0.488 -0.092 0.00 0.00 -0.318 N ATOM 3 C LIG 1 -0.281 -1.487 0.348 0.00 0.00 +0.129 A ATOM 4 C LIG 1 0.489 -2.214 1.240 0.00 0.00 +0.185 A ATOM 5 N LIG 1 0.048 -3.255 1.963 0.00 0.00 -0.190 NA ATOM 6 C LIG 1 -1.247 -3.488 1.727 0.00 0.00 +0.274 A ATOM 7 N LIG 1 -2.087 -2.864 0.879 0.00 0.00 -0.195 NA ATOM 8 C LIG 1 -1.615 -1.846 0.132 0.00 0.00 +0.150 A ATOM 9 N LIG 1 1.764 -1.757 1.293 0.00 0.00 -0.206 NA ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 5.458 0.314 0.640 0.00 0.00 -0.041 A ATOM 11 C LIG 1 4.278 -0.422 0.807 0.00 0.00 +0.035 A ATOM 12 C LIG 1 3.074 0.059 0.288 0.00 0.00 +0.106 A ATOM 13 N LIG 1 2.999 1.232 -0.377 0.00 0.00 -0.252 NA ATOM 14 C LIG 1 4.144 1.934 -0.529 0.00 0.00 +0.112 A ATOM 15 C LIG 1 5.376 1.525 -0.049 0.00 0.00 +0.023 A BRANCH 10 17 ATOM 16 C LIG 1 6.761 -0.281 2.712 0.00 0.00 +0.012 C ATOM 17 C LIG 1 6.788 -0.167 1.186 0.00 0.00 +0.013 C ATOM 18 C LIG 1 7.211 -1.493 0.548 0.00 0.00 +0.012 C ENDBRANCH 10 17 ENDBRANCH 1 12 BRANCH 6 19 ATOM 19 S LIG 1 -1.962 -4.845 2.634 0.00 0.00 +0.029 S ATOM 20 O LIG 1 -2.943 -4.309 3.564 0.00 0.00 -0.167 OA ATOM 21 O LIG 1 -2.323 -5.888 1.687 0.00 0.00 -0.167 OA ATOM 22 C LIG 1 -0.626 -5.481 3.610 0.00 0.00 +0.204 C ENDBRANCH 6 19 BRANCH 8 23 ATOM 23 N LIG 1 -2.447 -1.216 -0.785 0.00 0.00 -0.324 N ATOM 24 H LIG 1 -1.977 -0.985 -1.649 0.00 0.00 +0.148 HD BRANCH 23 25 ATOM 25 C LIG 1 -3.795 -1.762 -0.996 0.00 0.00 +0.072 C ATOM 26 C LIG 1 -3.727 -2.982 -1.916 0.00 0.00 +0.028 C BRANCH 25 27 ATOM 27 C LIG 1 -4.677 -0.640 -1.565 0.00 0.00 +0.009 C ATOM 28 C LIG 1 -4.512 -0.145 -3.031 0.00 0.00 +0.005 C ATOM 29 C LIG 1 -6.025 0.159 -3.016 0.00 0.00 +0.001 C ATOM 30 C LIG 1 -6.162 -0.928 -1.928 0.00 0.00 +0.005 C ENDBRANCH 25 27 ENDBRANCH 23 25 ENDBRANCH 8 23 BRANCH 2 31 ATOM 31 C LIG 1 0.189 0.583 -0.996 0.00 0.00 +0.127 C BRANCH 31 32 ATOM 32 C LIG 1 -0.698 1.675 -0.359 0.00 0.00 +0.009 C ATOM 33 C LIG 1 -1.318 2.538 -1.477 0.00 0.00 +0.005 C ATOM 34 C LIG 1 -1.742 3.907 -0.961 0.00 0.00 +0.003 C ATOM 35 C LIG 1 -0.529 4.721 -0.476 0.00 0.00 -0.014 C ATOM 36 C LIG 1 -0.975 5.783 0.530 0.00 0.00 +0.007 C ATOM 37 C LIG 1 0.585 3.829 0.102 0.00 0.00 +0.003 C ATOM 38 C LIG 1 0.035 2.534 0.692 0.00 0.00 +0.005 C ENDBRANCH 31 32 ENDBRANCH 2 31 TORSDOF 8