REMARK Name = BDB024738 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.290 -0.779 -0.883 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.422 0.022 -0.119 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.966 1.219 0.555 0.00 0.00 +0.082 C ATOM 4 C LIG 1 4.933 2.437 -0.377 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.286 1.478 1.895 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.798 1.667 1.710 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.208 0.567 0.875 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.816 0.325 0.947 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.127 0.970 1.702 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.290 0.410 1.425 0.00 0.00 +0.115 A ATOM 11 N LIG 1 -1.122 -0.630 0.528 0.00 0.00 -0.323 N ATOM 12 C LIG 1 0.224 -0.670 0.188 0.00 0.00 +0.070 A ATOM 13 C LIG 1 0.967 -1.455 -0.692 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.345 -1.204 -0.772 0.00 0.00 +0.026 A ATOM 15 C LIG 1 2.995 -0.218 -0.009 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.022 -1.847 -1.422 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -2.106 -1.560 -0.029 0.00 0.00 +0.110 C ATOM 18 C LIG 1 -2.808 -0.980 -1.255 0.00 0.00 +0.191 C ATOM 19 S LIG 1 -4.192 -1.978 -1.774 0.00 0.00 -0.029 S ATOM 20 O LIG 1 -5.392 -1.462 -1.144 0.00 0.00 -0.174 OA ATOM 21 O LIG 1 -4.114 -2.141 -3.212 0.00 0.00 -0.174 OA ATOM 22 C LIG 1 -3.851 -3.560 -1.038 0.00 0.00 +0.166 C ATOM 23 C LIG 1 -3.727 -3.472 0.477 0.00 0.00 +0.025 C ATOM 24 C LIG 1 -3.066 -2.186 0.993 0.00 0.00 +0.028 C ENDBRANCH 11 17 BRANCH 1 26 ATOM 25 C LIG 1 7.474 -1.013 -1.737 0.00 0.00 +0.282 C ATOM 26 O LIG 1 6.546 -0.241 -0.973 0.00 0.00 -0.453 OA ENDBRANCH 1 26 BRANCH 10 27 ATOM 27 C LIG 1 -2.576 0.899 2.029 0.00 0.00 +0.109 C BRANCH 27 28 ATOM 28 C LIG 1 -3.445 1.689 1.077 0.00 0.00 -0.040 A ATOM 29 C LIG 1 -2.917 2.777 0.363 0.00 0.00 +0.004 A ATOM 30 C LIG 1 -3.717 3.505 -0.519 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -5.055 3.161 -0.691 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -5.597 2.098 0.028 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -4.801 1.372 0.915 0.00 0.00 +0.004 A ENDBRANCH 27 28 ENDBRANCH 10 27 TORSDOF 4