REMARK Name = BDB010841 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.022 0.231 -0.192 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -1.109 -0.622 -0.814 0.00 0.00 +0.128 A ATOM 3 C LIG 1 -1.439 -1.204 -2.028 0.00 0.00 +0.184 A ATOM 4 N LIG 1 -0.443 -2.006 -2.493 0.00 0.00 -0.212 NA ATOM 5 C LIG 1 0.513 -1.954 -1.587 0.00 0.00 +0.118 A ATOM 6 N LIG 1 -2.601 -1.020 -2.674 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 -3.425 -0.209 -1.999 0.00 0.00 +0.203 A ATOM 8 N LIG 1 0.145 -1.130 -0.535 0.00 0.00 -0.323 N ATOM 9 N LIG 1 -3.201 0.405 -0.823 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 -4.731 0.043 -2.648 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -5.006 -0.553 -3.820 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -4.411 -1.178 -4.340 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -6.233 -0.157 -4.180 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -6.826 -0.489 -5.194 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -6.716 0.693 -3.215 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -5.690 0.798 -2.220 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 5 17 ATOM 17 C LIG 1 1.809 -2.722 -1.688 0.00 0.00 +0.084 C ATOM 18 C LIG 1 1.548 -4.206 -2.009 0.00 0.00 +0.125 C ATOM 19 C LIG 1 2.856 -5.008 -2.042 0.00 0.00 +0.032 C ATOM 20 C LIG 1 4.056 -4.213 -2.555 0.00 0.00 +0.003 C ATOM 21 C LIG 1 3.635 -3.074 -3.469 0.00 0.00 +0.001 C ATOM 22 C LIG 1 2.724 -2.076 -2.750 0.00 0.00 +0.014 C BRANCH 18 23 ATOM 23 O LIG 1 0.706 -4.799 -1.016 0.00 0.00 -0.391 OA ATOM 24 H LIG 1 -0.198 -4.486 -1.209 0.00 0.00 +0.210 HD ENDBRANCH 18 23 ENDBRANCH 5 17 BRANCH 1 25 ATOM 25 N LIG 1 -1.783 0.879 1.012 0.00 0.00 -0.324 N ATOM 26 H LIG 1 -0.818 1.134 1.156 0.00 0.00 +0.148 HD BRANCH 25 28 ATOM 27 C LIG 1 -2.445 3.225 0.708 0.00 0.00 +0.028 C ATOM 28 C LIG 1 -2.725 1.915 1.449 0.00 0.00 +0.072 C BRANCH 28 29 ATOM 29 C LIG 1 -2.531 2.141 2.952 0.00 0.00 +0.009 C ATOM 30 C LIG 1 -3.612 2.982 3.688 0.00 0.00 +0.005 C ATOM 31 C LIG 1 -3.427 2.035 4.891 0.00 0.00 +0.001 C ATOM 32 C LIG 1 -2.948 0.969 3.885 0.00 0.00 +0.005 C ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 1 25 BRANCH 8 33 ATOM 33 C LIG 1 0.904 -0.936 0.688 0.00 0.00 +0.127 C BRANCH 33 34 ATOM 34 C LIG 1 2.137 -0.015 0.564 0.00 0.00 +0.009 C ATOM 35 C LIG 1 2.760 0.234 1.955 0.00 0.00 +0.005 C ATOM 36 C LIG 1 2.292 1.552 2.566 0.00 0.00 +0.003 C ATOM 37 C LIG 1 2.676 2.764 1.696 0.00 0.00 -0.014 C ATOM 38 C LIG 1 3.955 3.433 2.203 0.00 0.00 +0.007 C ATOM 39 C LIG 1 2.825 2.398 0.209 0.00 0.00 +0.003 C ATOM 40 C LIG 1 1.846 1.299 -0.187 0.00 0.00 +0.005 C ENDBRANCH 33 34 ENDBRANCH 8 33 TORSDOF 8