REMARK Name = BDB032769 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.381 -1.930 1.095 0.00 0.00 +0.269 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.747 -1.938 0.455 0.00 0.00 -0.010 A ATOM 3 C LIG 1 2.669 -0.924 0.752 0.00 0.00 +0.020 A ATOM 4 C LIG 1 3.897 -0.967 0.118 0.00 0.00 +0.042 A ATOM 5 C LIG 1 5.034 -0.049 0.246 0.00 0.00 +0.248 C ATOM 6 N LIG 1 5.999 -0.476 -0.655 0.00 0.00 -0.282 N ATOM 7 C LIG 1 5.638 -1.744 -1.276 0.00 0.00 +0.144 C ATOM 8 O LIG 1 5.083 0.886 1.020 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 4.245 -1.963 -0.790 0.00 0.00 -0.018 A ATOM 10 C LIG 1 3.346 -2.966 -1.101 0.00 0.00 +0.006 A ATOM 11 C LIG 1 2.091 -2.945 -0.478 0.00 0.00 +0.007 A BRANCH 6 12 ATOM 12 C LIG 1 7.370 0.020 -0.690 0.00 0.00 +0.163 C ATOM 13 C LIG 1 8.192 -0.533 0.485 0.00 0.00 +0.240 C ATOM 14 O LIG 1 7.995 -1.637 0.991 0.00 0.00 -0.273 OA ATOM 15 N LIG 1 9.267 0.229 0.881 0.00 0.00 -0.255 N ATOM 16 H LIG 1 9.827 -0.153 1.630 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 9.735 1.387 0.311 0.00 0.00 +0.219 C ATOM 18 O LIG 1 10.793 1.889 0.678 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 8.935 1.947 -0.841 0.00 0.00 +0.098 C ATOM 20 C LIG 1 7.472 1.544 -0.745 0.00 0.00 +0.041 C ENDBRANCH 6 12 ENDBRANCH 1 2 BRANCH 1 21 ATOM 21 O LIG 1 -0.474 -1.131 0.275 0.00 0.00 -0.445 OA BRANCH 21 24 ATOM 22 N LIG 1 -2.457 -0.268 -0.136 0.00 0.00 -0.250 N ATOM 23 H LIG 1 -1.898 0.094 -0.897 0.00 0.00 +0.158 HD ATOM 24 C LIG 1 -1.754 -1.062 0.724 0.00 0.00 +0.405 C ATOM 25 O LIG 1 -2.158 -1.629 1.726 0.00 0.00 -0.226 OA BRANCH 22 31 ATOM 26 C LIG 1 -6.970 -0.385 1.974 0.00 0.00 +0.046 C ATOM 27 C LIG 1 -6.045 0.077 0.885 0.00 0.00 -0.023 A ATOM 28 C LIG 1 -6.470 0.893 -0.173 0.00 0.00 +0.074 A ATOM 29 N LIG 1 -5.618 1.327 -1.137 0.00 0.00 -0.253 NA ATOM 30 C LIG 1 -4.331 0.918 -1.068 0.00 0.00 +0.134 A ATOM 31 C LIG 1 -3.816 0.087 -0.080 0.00 0.00 +0.055 A ATOM 32 C LIG 1 -4.700 -0.334 0.908 0.00 0.00 +0.030 A BRANCH 28 33 ATOM 33 C LIG 1 -7.854 1.364 -0.340 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -8.917 0.467 -0.541 0.00 0.00 +0.010 A ATOM 35 C LIG 1 -10.227 0.927 -0.695 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -10.495 2.294 -0.661 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -9.454 3.201 -0.480 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -8.144 2.739 -0.325 0.00 0.00 +0.010 A ENDBRANCH 28 33 ENDBRANCH 22 31 ENDBRANCH 21 24 ENDBRANCH 1 21 TORSDOF 6