REMARK Name = BDB029389 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -6.900 -0.917 0.622 0.00 0.00 -0.275 OA ATOM 2 C LIG 1 -5.718 -0.728 0.392 0.00 0.00 +0.222 C ATOM 3 N LIG 1 -4.814 -0.099 1.240 0.00 0.00 -0.285 N ATOM 4 H LIG 1 -5.076 0.267 2.143 0.00 0.00 +0.155 HD ATOM 5 C LIG 1 -3.549 -0.046 0.678 0.00 0.00 +0.038 A ATOM 6 C LIG 1 -3.568 -0.646 -0.580 0.00 0.00 -0.017 A ATOM 7 C LIG 1 -2.423 -0.711 -1.351 0.00 0.00 +0.006 A ATOM 8 C LIG 1 -1.247 -0.163 -0.825 0.00 0.00 +0.013 A ATOM 9 C LIG 1 -1.234 0.430 0.460 0.00 0.00 +0.038 A ATOM 10 C LIG 1 -2.408 0.502 1.222 0.00 0.00 +0.036 A ATOM 11 C LIG 1 -4.956 -1.135 -0.875 0.00 0.00 +0.133 C ENDROOT BRANCH 9 12 ATOM 12 C LIG 1 0.006 1.022 1.036 0.00 0.00 +0.244 C ATOM 13 N LIG 1 1.201 0.498 0.594 0.00 0.00 -0.307 N ATOM 14 H LIG 1 1.196 -0.394 0.116 0.00 0.00 +0.149 HD ATOM 15 O LIG 1 -0.068 1.904 1.883 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 2.444 0.922 1.197 0.00 0.00 +0.141 C BRANCH 16 17 ATOM 17 C LIG 1 3.618 0.414 0.416 0.00 0.00 -0.012 A ATOM 18 C LIG 1 4.385 -0.651 0.878 0.00 0.00 +0.115 A ATOM 19 N LIG 1 5.440 -1.171 0.211 0.00 0.00 -0.263 NA ATOM 20 C LIG 1 5.753 -0.600 -0.972 0.00 0.00 +0.111 A ATOM 21 C LIG 1 5.054 0.462 -1.522 0.00 0.00 +0.020 A ATOM 22 C LIG 1 3.969 0.972 -0.817 0.00 0.00 +0.008 A ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 9 12 TORSDOF 3