REMARK Name = BDB005929 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.093 0.244 -1.092 0.00 0.00 -0.310 N ATOM 2 C LIG 1 0.102 1.599 -0.863 0.00 0.00 +0.098 A ATOM 3 C LIG 1 1.492 1.715 -0.830 0.00 0.00 +0.095 A ATOM 4 C LIG 1 2.111 2.923 -0.509 0.00 0.00 +0.061 A ATOM 5 C LIG 1 1.263 3.974 -0.232 0.00 0.00 +0.112 A ATOM 6 N LIG 1 -0.084 3.889 -0.300 0.00 0.00 -0.240 NA ATOM 7 N LIG 1 2.107 0.543 -1.163 0.00 0.00 -0.214 NA ATOM 8 C LIG 1 -0.712 2.724 -0.654 0.00 0.00 +0.117 A ATOM 9 C LIG 1 1.144 -0.323 -1.355 0.00 0.00 +0.200 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 1.785 5.306 0.160 0.00 0.00 +0.201 A ATOM 11 N LIG 1 3.084 5.621 0.026 0.00 0.00 -0.270 N ATOM 12 H LIG 1 3.848 5.096 -0.359 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 3.219 6.889 0.445 0.00 0.00 +0.440 A ATOM 14 O LIG 1 4.260 7.526 0.449 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 1.997 7.346 0.861 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 1.077 6.272 0.649 0.00 0.00 -0.053 NA ENDBRANCH 5 10 BRANCH 8 17 ATOM 17 C LIG 1 -2.166 2.809 -0.802 0.00 0.00 +0.114 A ATOM 18 N LIG 1 -2.740 2.071 -1.778 0.00 0.00 -0.148 NA ATOM 19 N LIG 1 -4.095 2.111 -1.986 0.00 0.00 -0.157 NA ATOM 20 C LIG 1 -4.856 2.917 -1.223 0.00 0.00 +0.135 A ATOM 21 C LIG 1 -4.321 3.706 -0.227 0.00 0.00 +0.024 A ATOM 22 C LIG 1 -2.947 3.652 -0.017 0.00 0.00 +0.033 A ENDBRANCH 8 17 BRANCH 9 23 ATOM 23 N LIG 1 1.265 -1.605 -1.814 0.00 0.00 -0.289 N ATOM 24 C LIG 1 2.473 -2.379 -1.377 0.00 0.00 +0.132 C ATOM 25 C LIG 1 3.637 -2.147 -2.370 0.00 0.00 +0.187 C ATOM 26 O LIG 1 3.345 -2.621 -3.704 0.00 0.00 -0.376 OA ATOM 27 C LIG 1 1.940 -2.761 -3.960 0.00 0.00 +0.179 C ATOM 28 C LIG 1 1.092 -1.662 -3.302 0.00 0.00 +0.136 C BRANCH 24 29 ATOM 29 C LIG 1 2.804 -2.252 0.105 0.00 0.00 -0.025 A ATOM 30 C LIG 1 3.802 -1.392 0.588 0.00 0.00 +0.005 A ATOM 31 C LIG 1 4.083 -1.316 1.954 0.00 0.00 +0.000 A ATOM 32 C LIG 1 3.370 -2.098 2.860 0.00 0.00 +0.000 A ATOM 33 C LIG 1 2.372 -2.953 2.401 0.00 0.00 +0.000 A ATOM 34 C LIG 1 2.090 -3.028 1.036 0.00 0.00 +0.005 A ENDBRANCH 24 29 ENDBRANCH 9 23 BRANCH 1 35 ATOM 35 C LIG 1 -1.330 -0.517 -1.003 0.00 0.00 +0.128 C BRANCH 35 40 ATOM 36 C LIG 1 -3.247 -2.921 3.595 0.00 0.00 +0.007 C ATOM 37 C LIG 1 -3.091 -2.780 2.080 0.00 0.00 -0.014 C ATOM 38 C LIG 1 -1.613 -2.632 1.677 0.00 0.00 +0.003 C ATOM 39 C LIG 1 -1.213 -1.173 1.482 0.00 0.00 +0.005 C ATOM 40 C LIG 1 -2.033 -0.484 0.372 0.00 0.00 +0.009 C ATOM 41 C LIG 1 -3.444 -1.093 0.233 0.00 0.00 +0.005 C ATOM 42 C LIG 1 -3.961 -1.621 1.565 0.00 0.00 +0.003 C ENDBRANCH 35 40 ENDBRANCH 1 35 TORSDOF 6