REMARK Name = BDB010839 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.812 -0.522 -0.516 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.874 -1.552 -0.429 0.00 0.00 +0.128 A ATOM 3 C LIG 1 -1.173 -2.685 0.310 0.00 0.00 +0.184 A ATOM 4 N LIG 1 -0.203 -3.630 0.196 0.00 0.00 -0.210 NA ATOM 5 C LIG 1 0.710 -3.125 -0.616 0.00 0.00 +0.144 A ATOM 6 N LIG 1 -2.296 -2.861 1.021 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 -3.119 -1.810 0.920 0.00 0.00 +0.203 A ATOM 8 N LIG 1 0.404 -1.799 -0.903 0.00 0.00 -0.321 N ATOM 9 N LIG 1 -2.943 -0.688 0.200 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 -4.373 -1.917 1.698 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -4.608 -3.030 2.413 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -4.014 -3.839 2.490 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -5.793 -2.865 3.014 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -6.343 -3.668 3.750 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -6.290 -1.634 2.662 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -5.320 -1.039 1.792 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 5 17 ATOM 17 C LIG 1 1.872 -3.924 -1.169 0.00 0.00 +0.118 C ATOM 18 C LIG 1 3.188 -3.599 -0.469 0.00 0.00 +0.049 C ATOM 19 C LIG 1 1.605 -5.433 -1.059 0.00 0.00 +0.049 C BRANCH 17 20 ATOM 20 O LIG 1 1.987 -3.607 -2.559 0.00 0.00 -0.381 OA ATOM 21 H LIG 1 1.219 -4.009 -3.003 0.00 0.00 +0.211 HD ENDBRANCH 17 20 ENDBRANCH 5 17 BRANCH 1 22 ATOM 22 N LIG 1 -1.675 0.598 -1.313 0.00 0.00 -0.324 N ATOM 23 H LIG 1 -0.773 0.779 -1.719 0.00 0.00 +0.148 HD BRANCH 22 25 ATOM 24 C LIG 1 -2.696 2.526 -2.352 0.00 0.00 +0.028 C ATOM 25 C LIG 1 -2.476 1.789 -1.027 0.00 0.00 +0.072 C BRANCH 25 26 ATOM 26 C LIG 1 -1.734 2.712 -0.057 0.00 0.00 +0.009 C ATOM 27 C LIG 1 -1.625 2.262 1.429 0.00 0.00 +0.005 C ATOM 28 C LIG 1 -1.751 3.750 1.811 0.00 0.00 +0.001 C ATOM 29 C LIG 1 -2.511 3.946 0.484 0.00 0.00 +0.005 C ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 1 22 BRANCH 8 30 ATOM 30 C LIG 1 1.258 -0.829 -1.572 0.00 0.00 +0.127 C BRANCH 30 31 ATOM 31 C LIG 1 1.665 0.369 -0.684 0.00 0.00 +0.009 C ATOM 32 C LIG 1 2.254 1.493 -1.550 0.00 0.00 +0.005 C ATOM 33 C LIG 1 2.663 2.701 -0.708 0.00 0.00 +0.003 C ATOM 34 C LIG 1 3.633 2.313 0.415 0.00 0.00 -0.014 C ATOM 35 C LIG 1 3.968 3.526 1.280 0.00 0.00 +0.007 C ATOM 36 C LIG 1 3.053 1.181 1.271 0.00 0.00 +0.003 C ATOM 37 C LIG 1 2.661 -0.024 0.417 0.00 0.00 +0.005 C ENDBRANCH 30 31 ENDBRANCH 8 30 TORSDOF 8