REMARK Name = BDB010856 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.258 -0.001 0.597 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.624 1.195 0.256 0.00 0.00 +0.128 A ATOM 3 C LIG 1 0.994 2.375 0.885 0.00 0.00 +0.184 A ATOM 4 N LIG 1 0.301 3.444 0.400 0.00 0.00 -0.209 NA ATOM 5 C LIG 1 -0.525 2.951 -0.499 0.00 0.00 +0.150 A ATOM 6 N LIG 1 1.927 2.463 1.842 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 2.452 1.276 2.143 0.00 0.00 +0.203 A ATOM 8 N LIG 1 -0.393 1.580 -0.594 0.00 0.00 -0.321 N ATOM 9 N LIG 1 2.171 0.074 1.585 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 3.482 1.241 3.205 0.00 0.00 +0.220 A ATOM 11 N LIG 1 4.027 0.061 3.544 0.00 0.00 -0.269 N ATOM 12 H LIG 1 3.810 -0.839 3.152 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 4.918 0.305 4.512 0.00 0.00 +0.440 A ATOM 14 O LIG 1 5.613 -0.528 5.071 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 4.920 1.653 4.771 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 3.956 2.236 3.884 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 5 17 ATOM 17 C LIG 1 -1.511 3.849 -1.332 0.00 0.00 +0.169 C ATOM 18 C LIG 1 -0.942 4.269 -2.714 0.00 0.00 +0.048 C ATOM 19 C LIG 1 -1.601 5.643 -2.485 0.00 0.00 +0.007 C ATOM 20 C LIG 1 -1.501 5.360 -0.973 0.00 0.00 +0.048 C ATOM 21 F LIG 1 -2.741 3.280 -1.366 0.00 0.00 -0.234 F ENDBRANCH 5 17 BRANCH 1 22 ATOM 22 N LIG 1 0.981 -1.208 -0.018 0.00 0.00 -0.324 N ATOM 23 H LIG 1 0.737 -1.107 -0.994 0.00 0.00 +0.148 HD BRANCH 22 25 ATOM 24 C LIG 1 1.485 -2.949 1.669 0.00 0.00 +0.028 C ATOM 25 C LIG 1 1.730 -2.441 0.248 0.00 0.00 +0.072 C BRANCH 25 26 ATOM 26 C LIG 1 3.231 -2.331 -0.058 0.00 0.00 +0.009 C ATOM 27 C LIG 1 3.624 -1.955 -1.516 0.00 0.00 +0.005 C ATOM 28 C LIG 1 3.774 -3.458 -1.811 0.00 0.00 +0.001 C ATOM 29 C LIG 1 3.982 -3.672 -0.301 0.00 0.00 +0.005 C ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 1 22 BRANCH 8 30 ATOM 30 C LIG 1 -1.197 0.716 -1.442 0.00 0.00 +0.127 C BRANCH 30 31 ATOM 31 C LIG 1 -2.186 -0.183 -0.676 0.00 0.00 +0.009 C ATOM 32 C LIG 1 -2.737 -1.275 -1.613 0.00 0.00 +0.005 C ATOM 33 C LIG 1 -4.160 -1.726 -1.274 0.00 0.00 +0.003 C ATOM 34 C LIG 1 -4.474 -1.696 0.224 0.00 0.00 -0.014 C ATOM 35 C LIG 1 -3.705 -2.784 0.980 0.00 0.00 +0.007 C ATOM 36 C LIG 1 -4.223 -0.301 0.827 0.00 0.00 +0.003 C ATOM 37 C LIG 1 -3.329 0.604 -0.027 0.00 0.00 +0.005 C ENDBRANCH 30 31 ENDBRANCH 8 30 TORSDOF 7