REMARK Name = BDB031856 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.135 -2.617 -0.381 0.00 0.00 -0.041 A ATOM 2 C LIG 1 3.490 -3.195 0.729 0.00 0.00 +0.031 A ATOM 3 C LIG 1 2.137 -2.905 0.944 0.00 0.00 +0.068 A ATOM 4 C LIG 1 1.391 -2.083 0.111 0.00 0.00 +0.041 A ATOM 5 C LIG 1 0.080 -2.054 0.686 0.00 0.00 +0.152 A ATOM 6 N LIG 1 0.028 -2.805 1.791 0.00 0.00 -0.158 NA ATOM 7 C LIG 1 2.024 -1.518 -1.011 0.00 0.00 +0.014 A ATOM 8 N LIG 1 1.266 -3.302 1.918 0.00 0.00 -0.275 N ATOM 9 H LIG 1 1.457 -3.913 2.703 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 3.380 -1.800 -1.240 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 5.608 1.712 0.606 0.00 0.00 +0.120 A ATOM 12 C LIG 1 5.590 0.310 0.561 0.00 0.00 +0.052 A ATOM 13 C LIG 1 6.408 -0.355 -0.340 0.00 0.00 -0.007 A ATOM 14 C LIG 1 6.645 -1.807 -0.647 0.00 0.00 +0.081 C ATOM 15 C LIG 1 5.592 -2.896 -0.672 0.00 0.00 +0.040 C ATOM 16 C LIG 1 7.718 -1.786 -1.712 0.00 0.00 +0.228 C ATOM 17 N LIG 1 8.005 -0.458 -1.973 0.00 0.00 -0.284 N ATOM 18 H LIG 1 8.699 -0.174 -2.647 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 8.218 -2.770 -2.230 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 6.630 -2.852 0.431 0.00 0.00 +0.031 C ATOM 21 C LIG 1 7.249 0.399 -1.172 0.00 0.00 +0.038 A ATOM 22 C LIG 1 7.295 1.776 -1.154 0.00 0.00 +0.027 A ATOM 23 C LIG 1 6.457 2.437 -0.250 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 4.711 3.673 1.616 0.00 0.00 +0.277 C ATOM 25 O LIG 1 4.756 2.255 1.530 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -0.924 -1.337 0.129 0.00 0.00 -0.293 N ATOM 27 H LIG 1 -0.721 -0.808 -0.716 0.00 0.00 +0.154 HD BRANCH 26 28 ATOM 28 C LIG 1 -2.276 -1.154 0.494 0.00 0.00 +0.095 A ATOM 29 C LIG 1 -3.103 -0.324 -0.287 0.00 0.00 +0.237 A ATOM 30 N LIG 1 -4.408 -0.061 -0.043 0.00 0.00 -0.207 NA ATOM 31 C LIG 1 -4.948 -0.662 1.046 0.00 0.00 +0.129 A ATOM 32 C LIG 1 -4.223 -1.506 1.883 0.00 0.00 +0.035 A ATOM 33 C LIG 1 -2.878 -1.747 1.601 0.00 0.00 +0.031 A BRANCH 31 34 ATOM 34 C LIG 1 -6.397 -0.417 1.355 0.00 0.00 +0.265 C ATOM 35 N LIG 1 -7.094 0.514 0.614 0.00 0.00 -0.295 N ATOM 36 C LIG 1 -6.648 1.681 -0.148 0.00 0.00 +0.121 C ATOM 37 C LIG 1 -8.040 2.194 0.031 0.00 0.00 +0.049 C ATOM 38 C LIG 1 -8.259 3.611 0.443 0.00 0.00 +0.172 C ATOM 39 O LIG 1 -8.971 3.876 -0.801 0.00 0.00 -0.378 OA ATOM 40 C LIG 1 -8.879 2.469 -1.175 0.00 0.00 +0.172 C ATOM 41 C LIG 1 -8.406 1.077 0.949 0.00 0.00 +0.121 C ATOM 42 O LIG 1 -6.944 -1.054 2.257 0.00 0.00 -0.268 OA ENDBRANCH 31 34 BRANCH 29 43 ATOM 43 O LIG 1 -2.490 0.260 -1.391 0.00 0.00 -0.478 OA ATOM 44 C LIG 1 -3.375 1.053 -2.173 0.00 0.00 +0.279 C ENDBRANCH 29 43 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 6