REMARK Name = BDB029701 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.052 -0.484 1.607 0.00 0.00 -0.323 N ATOM 2 C LIG 1 0.838 -1.254 1.232 0.00 0.00 +0.084 C ATOM 3 C LIG 1 1.141 -2.630 0.642 0.00 0.00 +0.029 C ATOM 4 C LIG 1 -0.152 -0.434 0.358 0.00 0.00 +0.107 C ATOM 5 N LIG 1 -0.445 0.937 0.815 0.00 0.00 -0.292 NA ATOM 6 C LIG 1 0.761 1.635 1.294 0.00 0.00 +0.104 C ATOM 7 C LIG 1 1.711 0.826 2.209 0.00 0.00 +0.121 C ENDROOT BRANCH 1 11 ATOM 8 C LIG 1 5.622 -0.299 -0.526 0.00 0.00 +0.125 A ATOM 9 N LIG 1 5.664 -0.290 0.832 0.00 0.00 -0.249 NA ATOM 10 C LIG 1 4.463 -0.363 1.457 0.00 0.00 +0.134 A ATOM 11 C LIG 1 3.208 -0.438 0.831 0.00 0.00 +0.048 A ATOM 12 C LIG 1 3.234 -0.433 -0.564 0.00 0.00 +0.027 A ATOM 13 C LIG 1 4.445 -0.365 -1.257 0.00 0.00 +0.035 A BRANCH 8 17 ATOM 14 C LIG 1 9.374 -0.003 -0.872 0.00 0.00 +0.128 C ATOM 15 N LIG 1 8.034 -0.202 -0.394 0.00 0.00 -0.313 N ATOM 16 H LIG 1 7.826 -0.154 0.601 0.00 0.00 +0.149 HD ATOM 17 C LIG 1 6.941 -0.219 -1.235 0.00 0.00 +0.262 C ATOM 18 O LIG 1 7.011 -0.164 -2.457 0.00 0.00 -0.269 OA ENDBRANCH 8 17 ENDBRANCH 1 11 BRANCH 5 19 ATOM 19 C LIG 1 -1.658 1.130 1.623 0.00 0.00 +0.085 C ATOM 20 C LIG 1 -1.749 0.276 2.895 0.00 0.00 +0.029 C BRANCH 19 21 ATOM 21 C LIG 1 -2.895 1.049 0.732 0.00 0.00 -0.010 A ATOM 22 C LIG 1 -3.851 0.027 0.798 0.00 0.00 +0.034 A ATOM 23 C LIG 1 -4.941 0.056 -0.067 0.00 0.00 +0.068 A ATOM 24 C LIG 1 -5.051 1.103 -0.980 0.00 0.00 +0.088 A ATOM 25 C LIG 1 -6.193 1.133 -1.886 0.00 0.00 +0.038 A ATOM 26 C LIG 1 -7.130 0.169 -1.847 0.00 0.00 +0.016 A ATOM 27 C LIG 1 -7.010 -0.956 -0.865 0.00 0.00 +0.252 A ATOM 28 O LIG 1 -7.846 -1.852 -0.802 0.00 0.00 -0.268 OA ATOM 29 C LIG 1 -8.322 0.143 -2.748 0.00 0.00 +0.049 C ATOM 30 N LIG 1 -4.153 2.103 -1.081 0.00 0.00 -0.253 NA ATOM 31 N LIG 1 -5.919 -0.944 -0.033 0.00 0.00 -0.321 N ATOM 32 H LIG 1 -5.856 -1.710 0.623 0.00 0.00 +0.169 HD ATOM 33 C LIG 1 -3.099 2.046 -0.231 0.00 0.00 +0.116 A ENDBRANCH 19 21 ENDBRANCH 5 19 TORSDOF 4