REMARK Name = BDB014051 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.204 1.812 -1.220 0.00 0.00 +0.237 C ATOM 2 N LIG 1 1.022 1.774 -0.093 0.00 0.00 -0.288 N ATOM 3 C LIG 1 0.879 0.858 1.042 0.00 0.00 +0.162 C ATOM 4 C LIG 1 1.946 -0.158 0.868 0.00 0.00 +0.044 A ATOM 5 C LIG 1 3.155 0.052 0.239 0.00 0.00 +0.030 A ATOM 6 C LIG 1 3.471 1.323 -0.347 0.00 0.00 +0.088 A ATOM 7 N LIG 1 4.594 1.626 -0.916 0.00 0.00 -0.174 NA ATOM 8 N LIG 1 5.675 0.817 -1.107 0.00 0.00 -0.242 N ATOM 9 H LIG 1 6.431 1.297 -1.589 0.00 0.00 +0.192 HD ATOM 10 C LIG 1 6.014 -0.499 -0.857 0.00 0.00 +0.272 A ATOM 11 C LIG 1 5.146 -1.482 -0.187 0.00 0.00 +0.050 A ATOM 12 C LIG 1 5.582 -2.807 0.007 0.00 0.00 +0.014 A ATOM 13 C LIG 1 4.772 -3.750 0.643 0.00 0.00 +0.003 A ATOM 14 C LIG 1 3.499 -3.409 1.110 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.079 -2.090 0.917 0.00 0.00 +0.048 A ATOM 16 O LIG 1 7.134 -0.877 -1.219 0.00 0.00 -0.266 OA ATOM 17 C LIG 1 3.881 -1.137 0.280 0.00 0.00 +0.021 A ATOM 18 N LIG 1 1.890 -1.470 1.252 0.00 0.00 -0.356 N ATOM 19 H LIG 1 1.092 -1.934 1.673 0.00 0.00 +0.166 HD ATOM 20 C LIG 1 2.365 2.397 -0.211 0.00 0.00 +0.166 C ATOM 21 O LIG 1 0.539 2.466 -2.216 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 22 ATOM 22 C LIG 1 -1.143 1.038 -1.268 0.00 0.00 +0.183 C BRANCH 22 23 ATOM 23 N LIG 1 -0.849 -0.412 -1.389 0.00 0.00 -0.140 NA ATOM 24 H LIG 1 -0.271 -0.745 -0.615 0.00 0.00 +0.168 HD BRANCH 23 25 ATOM 25 O LIG 1 -2.106 -1.150 -1.227 0.00 0.00 -0.368 OA BRANCH 25 26 ATOM 26 C LIG 1 -2.066 -1.980 -0.123 0.00 0.00 +0.331 C ATOM 27 O LIG 1 -1.130 -2.009 0.675 0.00 0.00 -0.248 OA BRANCH 26 29 ATOM 28 C LIG 1 -3.236 -3.762 1.184 0.00 0.00 +0.022 C ATOM 29 C LIG 1 -3.345 -2.810 -0.017 0.00 0.00 +0.061 C ATOM 30 C LIG 1 -4.540 -1.871 0.192 0.00 0.00 +0.022 C ATOM 31 C LIG 1 -3.531 -3.639 -1.295 0.00 0.00 +0.022 C ENDBRANCH 26 29 ENDBRANCH 25 26 ENDBRANCH 23 25 ENDBRANCH 22 23 BRANCH 22 32 ATOM 32 C LIG 1 -2.166 1.463 -0.192 0.00 0.00 +0.066 C BRANCH 32 33 ATOM 33 C LIG 1 -2.298 2.954 0.017 0.00 0.00 -0.045 A ATOM 34 C LIG 1 -2.054 3.516 1.279 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -2.175 4.892 1.478 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -2.544 5.721 0.421 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -2.796 5.173 -0.835 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -2.678 3.797 -1.036 0.00 0.00 +0.004 A ENDBRANCH 32 33 ENDBRANCH 22 32 ENDBRANCH 1 22 TORSDOF 7