REMARK Name = BDB024156 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.255 0.474 0.054 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.565 0.832 1.365 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.286 -0.119 2.359 0.00 0.00 +0.005 A ATOM 4 C LIG 1 0.349 0.256 3.545 0.00 0.00 +0.000 A ATOM 5 C LIG 1 0.702 1.586 3.761 0.00 0.00 +0.000 A ATOM 6 C LIG 1 0.413 2.547 2.796 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.219 2.174 1.609 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 0.007 -1.620 -0.710 0.00 0.00 -0.269 N ATOM 9 H LIG 1 -0.117 -2.606 -0.908 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -1.160 -1.015 -0.366 0.00 0.00 +0.240 C ATOM 11 O LIG 1 -2.174 -1.729 -0.424 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 4.084 -0.885 -1.199 0.00 0.00 +0.048 A ATOM 13 C LIG 1 3.451 -2.117 -1.304 0.00 0.00 +0.136 A ATOM 14 N LIG 1 2.119 -2.323 -1.139 0.00 0.00 -0.238 NA ATOM 15 C LIG 1 1.342 -1.258 -0.855 0.00 0.00 +0.125 A ATOM 16 C LIG 1 1.872 0.015 -0.757 0.00 0.00 +0.045 A ATOM 17 C LIG 1 3.251 0.196 -0.929 0.00 0.00 +0.028 A BRANCH 12 20 ATOM 18 C LIG 1 7.510 -0.576 -1.194 0.00 0.00 +0.152 C ATOM 19 C LIG 1 6.299 0.313 -0.845 0.00 0.00 +0.138 C ATOM 20 N LIG 1 5.467 -0.726 -1.386 0.00 0.00 -0.324 N ATOM 21 C LIG 1 6.484 -1.725 -1.200 0.00 0.00 +0.138 C BRANCH 18 23 ATOM 22 C LIG 1 9.452 0.441 -0.152 0.00 0.00 +0.194 C ATOM 23 O LIG 1 8.570 -0.671 -0.212 0.00 0.00 -0.377 OA ENDBRANCH 18 23 ENDBRANCH 12 20 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 24 ATOM 24 N LIG 1 -2.666 0.963 -0.002 0.00 0.00 -0.301 NA ATOM 25 H LIG 1 -3.086 0.547 -0.838 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -3.490 0.562 1.151 0.00 0.00 +0.089 C BRANCH 26 27 ATOM 27 C LIG 1 -4.984 0.930 0.945 0.00 0.00 +0.030 C ATOM 28 C LIG 1 -5.790 0.579 2.201 0.00 0.00 +0.014 C BRANCH 27 29 ATOM 29 C LIG 1 -5.630 0.286 -0.276 0.00 0.00 -0.043 A ATOM 30 C LIG 1 -5.527 -1.090 -0.530 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -6.130 -1.655 -1.657 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -6.853 -0.853 -2.543 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -6.969 0.517 -2.297 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -6.363 1.081 -1.171 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 -7.472 -1.431 -3.700 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -7.975 -1.896 -4.637 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 27 29 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 10