REMARK Name = BDB022908 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.844 -0.047 0.685 0.00 0.00 +0.220 A ATOM 2 N LIG 1 1.756 0.638 0.297 0.00 0.00 -0.217 NA ATOM 3 C LIG 1 0.549 0.227 0.749 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -0.660 1.020 0.295 0.00 0.00 +0.163 C ATOM 5 N LIG 1 -1.952 0.449 0.703 0.00 0.00 -0.292 N ATOM 6 C LIG 1 -1.986 -0.196 2.029 0.00 0.00 +0.078 C ATOM 7 C LIG 1 -0.927 -1.310 2.094 0.00 0.00 +0.060 C ATOM 8 C LIG 1 -1.806 0.830 3.157 0.00 0.00 +0.028 C ATOM 9 C LIG 1 -3.046 0.732 -0.114 0.00 0.00 +0.220 C ATOM 10 O LIG 1 -2.923 1.499 -1.071 0.00 0.00 -0.275 OA ATOM 11 C LIG 1 0.411 -0.849 1.608 0.00 0.00 -0.005 A ATOM 12 C LIG 1 1.580 -1.493 1.940 0.00 0.00 +0.120 A ATOM 13 N LIG 1 2.792 -1.110 1.501 0.00 0.00 -0.222 NA ENDROOT BRANCH 9 14 ATOM 14 C LIG 1 -4.394 0.066 0.201 0.00 0.00 +0.085 C ATOM 15 C LIG 1 -5.253 -0.126 -1.085 0.00 0.00 +0.045 C ATOM 16 C LIG 1 -6.590 0.649 -1.031 0.00 0.00 +0.093 C ATOM 17 N LIG 1 -6.355 2.034 -0.629 0.00 0.00 -0.305 NA ATOM 18 C LIG 1 -7.540 2.867 -0.790 0.00 0.00 +0.104 C ATOM 19 C LIG 1 -5.769 2.164 0.706 0.00 0.00 +0.085 C ATOM 20 C LIG 1 -5.159 0.870 1.258 0.00 0.00 +0.029 C BRANCH 15 21 ATOM 21 C LIG 1 -5.479 -1.609 -1.374 0.00 0.00 -0.042 A ATOM 22 C LIG 1 -4.864 -2.198 -2.489 0.00 0.00 +0.004 A ATOM 23 C LIG 1 -5.042 -3.555 -2.767 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -5.833 -4.340 -1.933 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -6.445 -3.771 -0.818 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -6.268 -2.415 -0.538 0.00 0.00 +0.004 A ENDBRANCH 15 21 ENDBRANCH 9 14 BRANCH 1 27 ATOM 27 N LIG 1 4.055 0.423 0.178 0.00 0.00 -0.281 N ATOM 28 H LIG 1 3.851 1.216 -0.416 0.00 0.00 +0.155 HD BRANCH 27 32 ATOM 29 N LIG 1 7.492 -0.199 0.192 0.00 0.00 -0.267 N ATOM 30 N LIG 1 7.145 -1.209 1.018 0.00 0.00 -0.177 NA ATOM 31 C LIG 1 5.815 -1.096 1.108 0.00 0.00 +0.157 A ATOM 32 C LIG 1 5.314 -0.020 0.349 0.00 0.00 +0.071 A ATOM 33 C LIG 1 6.423 0.545 -0.231 0.00 0.00 +0.132 A BRANCH 29 35 ATOM 34 C LIG 1 9.440 1.249 0.554 0.00 0.00 +0.033 C ATOM 35 C LIG 1 8.906 0.005 -0.155 0.00 0.00 +0.107 C BRANCH 35 36 ATOM 36 C LIG 1 9.101 -0.036 -1.658 0.00 0.00 +0.013 C ATOM 37 C LIG 1 9.217 1.195 -2.527 0.00 0.00 +0.006 C ATOM 38 C LIG 1 10.419 0.319 -2.305 0.00 0.00 +0.006 C ENDBRANCH 35 36 ENDBRANCH 29 35 ENDBRANCH 27 32 ENDBRANCH 1 27 TORSDOF 6