REMARK Name = BDB029404 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.940 -0.167 0.098 0.00 0.00 +0.125 A ATOM 2 N LIG 1 2.169 -1.105 0.687 0.00 0.00 -0.236 NA ATOM 3 C LIG 1 0.820 -0.922 0.702 0.00 0.00 +0.048 A ATOM 4 C LIG 1 0.027 -2.005 1.377 0.00 0.00 +0.066 C ATOM 5 C LIG 1 0.196 0.196 0.133 0.00 0.00 +0.003 A ATOM 6 C LIG 1 1.027 1.147 -0.469 0.00 0.00 +0.013 A ATOM 7 C LIG 1 2.409 0.968 -0.489 0.00 0.00 +0.044 A ENDROOT BRANCH 5 8 ATOM 8 C LIG 1 -1.257 0.398 0.145 0.00 0.00 -0.016 A ATOM 9 C LIG 1 -2.058 -0.137 -0.880 0.00 0.00 +0.014 A ATOM 10 C LIG 1 -3.423 0.077 -0.832 0.00 0.00 -0.017 A ATOM 11 C LIG 1 -4.500 -0.371 -1.775 0.00 0.00 +0.133 C ATOM 12 C LIG 1 -5.760 0.210 -1.122 0.00 0.00 +0.222 C ATOM 13 N LIG 1 -5.364 0.881 0.028 0.00 0.00 -0.285 N ATOM 14 H LIG 1 -6.016 1.354 0.636 0.00 0.00 +0.155 HD ATOM 15 O LIG 1 -6.905 0.107 -1.529 0.00 0.00 -0.275 OA ATOM 16 C LIG 1 -3.993 0.809 0.206 0.00 0.00 +0.037 A ATOM 17 C LIG 1 -3.246 1.353 1.226 0.00 0.00 +0.024 A ATOM 18 C LIG 1 -1.863 1.142 1.188 0.00 0.00 +0.010 A ENDBRANCH 5 8 BRANCH 1 21 ATOM 19 C LIG 1 6.689 -0.388 -0.091 0.00 0.00 +0.109 C ATOM 20 C LIG 1 5.353 0.266 -0.343 0.00 0.00 +0.215 C ATOM 21 N LIG 1 4.301 -0.467 0.146 0.00 0.00 -0.271 N ATOM 22 H LIG 1 4.476 -1.343 0.619 0.00 0.00 +0.156 HD ATOM 23 O LIG 1 5.287 1.352 -0.910 0.00 0.00 -0.276 OA ENDBRANCH 1 21 TORSDOF 2