REMARK Name = BDB004805 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.930 2.439 -1.127 0.00 0.00 +0.099 C ATOM 2 C LIG 1 -0.756 3.673 -2.023 0.00 0.00 +0.033 C ENDROOT BRANCH 1 5 ATOM 3 C LIG 1 2.019 0.007 -1.324 0.00 0.00 +0.034 A ATOM 4 C LIG 1 1.150 1.012 -0.893 0.00 0.00 +0.028 A ATOM 5 C LIG 1 -0.016 1.325 -1.618 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -0.297 0.608 -2.791 0.00 0.00 +0.005 A ATOM 7 C LIG 1 0.561 -0.400 -3.225 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.712 -0.699 -2.494 0.00 0.00 +0.023 A BRANCH 3 10 ATOM 9 C LIG 1 3.767 0.234 0.469 0.00 0.00 +0.257 C ATOM 10 N LIG 1 3.196 -0.367 -0.643 0.00 0.00 -0.281 N ATOM 11 H LIG 1 3.721 -1.123 -1.062 0.00 0.00 +0.155 HD ATOM 12 O LIG 1 3.365 1.274 0.982 0.00 0.00 -0.269 OA BRANCH 9 16 ATOM 13 C LIG 1 8.520 -0.984 2.370 0.00 0.00 +0.073 C ATOM 14 C LIG 1 7.134 -1.024 1.832 0.00 0.00 +0.076 A ATOM 15 S LIG 1 6.295 0.435 1.508 0.00 0.00 -0.068 S ATOM 16 C LIG 1 4.941 -0.469 0.959 0.00 0.00 +0.097 A ATOM 17 C LIG 1 5.197 -1.825 1.106 0.00 0.00 +0.058 A ATOM 18 C LIG 1 4.275 -2.963 0.844 0.00 0.00 +0.067 C ATOM 19 N LIG 1 6.467 -2.128 1.576 0.00 0.00 -0.249 NA ENDBRANCH 9 16 ENDBRANCH 3 10 ENDBRANCH 1 5 BRANCH 1 20 ATOM 20 N LIG 1 -2.341 2.027 -1.169 0.00 0.00 -0.322 N ATOM 21 H LIG 1 -2.959 2.834 -1.166 0.00 0.00 +0.148 HD BRANCH 20 22 ATOM 22 C LIG 1 -2.776 1.166 -0.134 0.00 0.00 +0.130 A ATOM 23 C LIG 1 -4.087 0.646 -0.179 0.00 0.00 +0.041 A ATOM 24 C LIG 1 -4.477 -0.182 0.891 0.00 0.00 +0.088 A ATOM 25 C LIG 1 -5.788 -0.704 0.867 0.00 0.00 +0.063 A ATOM 26 C LIG 1 -6.672 -0.416 -0.192 0.00 0.00 +0.015 A ATOM 27 C LIG 1 -6.272 0.388 -1.247 0.00 0.00 +0.002 A ATOM 28 N LIG 1 -3.610 -0.457 1.892 0.00 0.00 -0.235 NA ATOM 29 C LIG 1 -2.385 0.077 1.825 0.00 0.00 +0.223 A ATOM 30 C LIG 1 -4.988 0.913 -1.241 0.00 0.00 +0.013 A ATOM 31 N LIG 1 -1.931 0.879 0.866 0.00 0.00 -0.220 NA BRANCH 25 32 ATOM 32 C LIG 1 -6.338 -1.590 1.940 0.00 0.00 +0.244 C ATOM 33 O LIG 1 -7.482 -2.030 1.886 0.00 0.00 -0.270 OA ATOM 34 N LIG 1 -5.538 -1.907 2.997 0.00 0.00 -0.325 N ATOM 35 H LIG 1 -4.583 -1.563 3.049 0.00 0.00 +0.145 HD ATOM 36 H LIG 1 -5.896 -2.514 3.720 0.00 0.00 +0.145 HD ENDBRANCH 25 32 ENDBRANCH 20 22 ENDBRANCH 1 20 TORSDOF 6