REMARK Name = BDB052314 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.275 -2.344 -0.312 0.00 0.00 +0.100 A ATOM 2 C LIG 1 -0.981 -2.292 -0.918 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -0.458 -3.558 -0.760 0.00 0.00 +0.117 A ATOM 4 N LIG 1 -1.405 -4.272 -0.094 0.00 0.00 -0.271 N ATOM 5 N LIG 1 -2.520 -3.575 0.171 0.00 0.00 -0.171 NA ENDROOT BRANCH 2 6 ATOM 6 C LIG 1 -0.301 -1.240 -1.639 0.00 0.00 -0.002 A ATOM 7 C LIG 1 0.950 -0.769 -1.197 0.00 0.00 +0.027 A ATOM 8 C LIG 1 1.529 0.253 -1.938 0.00 0.00 +0.139 A ATOM 9 N LIG 1 2.724 0.573 -1.359 0.00 0.00 -0.339 N ATOM 10 H LIG 1 3.325 1.307 -1.700 0.00 0.00 +0.167 HD ATOM 11 C LIG 1 2.953 -0.210 -0.247 0.00 0.00 +0.049 A ATOM 12 N LIG 1 1.035 0.856 -3.035 0.00 0.00 -0.237 NA ATOM 13 C LIG 1 -0.169 0.365 -3.411 0.00 0.00 +0.114 A ATOM 14 C LIG 1 1.848 -1.042 -0.126 0.00 0.00 +0.038 A ATOM 15 C LIG 1 -0.866 -0.649 -2.772 0.00 0.00 +0.029 A BRANCH 11 16 ATOM 16 C LIG 1 4.147 -0.081 0.589 0.00 0.00 -0.001 A ATOM 17 C LIG 1 5.396 0.219 0.025 0.00 0.00 +0.015 A ATOM 18 C LIG 1 6.543 0.348 0.828 0.00 0.00 -0.033 A ATOM 19 C LIG 1 6.426 0.164 2.212 0.00 0.00 +0.005 A ATOM 20 C LIG 1 5.191 -0.140 2.783 0.00 0.00 +0.001 A ATOM 21 C LIG 1 4.060 -0.264 1.975 0.00 0.00 +0.010 A BRANCH 18 22 ATOM 22 C LIG 1 7.890 0.651 0.206 0.00 0.00 +0.119 C BRANCH 22 23 ATOM 23 N LIG 1 8.522 1.870 0.742 0.00 0.00 -0.304 NA ATOM 24 C LIG 1 7.795 3.075 0.337 0.00 0.00 +0.104 C ATOM 25 C LIG 1 9.912 1.953 0.289 0.00 0.00 +0.104 C ENDBRANCH 22 23 ENDBRANCH 18 22 ENDBRANCH 11 16 ENDBRANCH 2 6 BRANCH 1 29 ATOM 26 C LIG 1 -5.224 0.753 0.037 0.00 0.00 +0.035 A ATOM 27 C LIG 1 -5.601 -0.560 -0.241 0.00 0.00 +0.024 A ATOM 28 C LIG 1 -4.635 -1.569 -0.345 0.00 0.00 +0.012 A ATOM 29 C LIG 1 -3.274 -1.280 -0.186 0.00 0.00 +0.003 A ATOM 30 C LIG 1 -2.899 0.037 0.101 0.00 0.00 +0.012 A ATOM 31 C LIG 1 -3.865 1.044 0.207 0.00 0.00 +0.024 A BRANCH 26 35 ATOM 32 N LIG 1 -8.040 3.047 0.181 0.00 0.00 -0.299 N ATOM 33 H LIG 1 -7.503 3.721 -0.345 0.00 0.00 +0.150 HD ATOM 34 C LIG 1 -7.508 1.769 0.143 0.00 0.00 +0.304 C ATOM 35 N LIG 1 -6.131 1.825 0.146 0.00 0.00 -0.269 N ATOM 36 H LIG 1 -5.744 2.721 0.401 0.00 0.00 +0.156 HD ATOM 37 O LIG 1 -8.207 0.765 0.121 0.00 0.00 -0.253 OA BRANCH 32 39 ATOM 38 C LIG 1 -9.881 4.642 0.437 0.00 0.00 +0.024 C ATOM 39 C LIG 1 -9.479 3.213 0.128 0.00 0.00 +0.102 C ENDBRANCH 32 39 ENDBRANCH 26 35 ENDBRANCH 1 29 BRANCH 4 40 ATOM 40 C LIG 1 -1.316 -5.663 0.309 0.00 0.00 +0.140 C ATOM 41 C LIG 1 -0.872 -5.811 1.753 0.00 0.00 +0.029 C ENDBRANCH 4 40 TORSDOF 8