REMARK Name = BDB010825 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.993 -0.233 -1.200 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.992 0.686 -1.529 0.00 0.00 +0.128 A ATOM 3 C LIG 1 -1.339 2.006 -1.782 0.00 0.00 +0.184 A ATOM 4 N LIG 1 -0.256 2.766 -2.095 0.00 0.00 -0.210 NA ATOM 5 C LIG 1 0.781 1.950 -2.047 0.00 0.00 +0.146 A ATOM 6 N LIG 1 -2.587 2.490 -1.737 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 -3.481 1.553 -1.437 0.00 0.00 +0.203 A ATOM 8 N LIG 1 0.380 0.664 -1.715 0.00 0.00 -0.321 N ATOM 9 N LIG 1 -3.255 0.245 -1.176 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 -4.899 1.970 -1.360 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -5.832 1.057 -1.045 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -5.682 0.081 -0.853 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -7.013 1.687 -1.047 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -8.095 1.177 -0.808 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -6.801 3.005 -1.364 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -5.389 3.150 -1.563 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 1 17 ATOM 17 N LIG 1 -1.750 -1.565 -0.916 0.00 0.00 -0.324 N ATOM 18 H LIG 1 -0.832 -1.720 -0.526 0.00 0.00 +0.148 HD BRANCH 17 20 ATOM 19 C LIG 1 -3.901 -2.755 -1.274 0.00 0.00 +0.028 C ATOM 20 C LIG 1 -2.754 -2.450 -0.314 0.00 0.00 +0.072 C BRANCH 20 21 ATOM 21 C LIG 1 -3.272 -1.955 1.036 0.00 0.00 +0.009 C ATOM 22 C LIG 1 -3.961 -3.007 1.952 0.00 0.00 +0.005 C ATOM 23 C LIG 1 -3.313 -2.279 3.148 0.00 0.00 +0.001 C ATOM 24 C LIG 1 -2.218 -1.808 2.172 0.00 0.00 +0.005 C ENDBRANCH 20 21 ENDBRANCH 17 20 ENDBRANCH 1 17 BRANCH 5 25 ATOM 25 C LIG 1 2.193 2.390 -2.354 0.00 0.00 +0.210 C BRANCH 25 26 ATOM 26 C LIG 1 2.977 2.882 -1.154 0.00 0.00 -0.012 A ATOM 27 C LIG 1 4.333 2.539 -1.013 0.00 0.00 +0.006 A ATOM 28 C LIG 1 5.073 2.982 0.085 0.00 0.00 +0.000 A ATOM 29 C LIG 1 4.474 3.789 1.049 0.00 0.00 +0.000 A ATOM 30 C LIG 1 3.139 4.160 0.912 0.00 0.00 +0.000 A ATOM 31 C LIG 1 2.397 3.714 -0.183 0.00 0.00 +0.006 A ENDBRANCH 25 26 BRANCH 25 32 ATOM 32 O LIG 1 2.100 3.469 -3.286 0.00 0.00 -0.379 OA ATOM 33 H LIG 1 1.212 3.855 -3.151 0.00 0.00 +0.211 HD ENDBRANCH 25 32 ENDBRANCH 5 25 BRANCH 8 34 ATOM 34 C LIG 1 1.250 -0.500 -1.699 0.00 0.00 +0.127 C BRANCH 34 35 ATOM 35 C LIG 1 2.106 -0.655 -0.428 0.00 0.00 +0.009 C ATOM 36 C LIG 1 3.176 -1.745 -0.644 0.00 0.00 +0.005 C ATOM 37 C LIG 1 3.559 -2.505 0.630 0.00 0.00 +0.003 C ATOM 38 C LIG 1 3.545 -1.635 1.890 0.00 0.00 -0.014 C ATOM 39 C LIG 1 4.699 -0.630 1.883 0.00 0.00 +0.007 C ATOM 40 C LIG 1 2.187 -0.934 2.085 0.00 0.00 +0.003 C ATOM 41 C LIG 1 1.295 -0.941 0.839 0.00 0.00 +0.005 C ENDBRANCH 34 35 ENDBRANCH 8 34 TORSDOF 9