REMARK Name = BDB064270 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.500 -0.262 1.223 0.00 0.00 +0.221 A ATOM 2 N LIG 1 -0.835 -0.262 1.052 0.00 0.00 -0.211 NA ATOM 3 C LIG 1 -1.545 0.800 1.518 0.00 0.00 +0.111 A ATOM 4 C LIG 1 -0.922 1.855 2.155 0.00 0.00 +0.167 A ATOM 5 F LIG 1 -1.579 2.931 2.607 0.00 0.00 -0.202 F ATOM 6 C LIG 1 0.438 1.762 2.301 0.00 0.00 +0.155 A ATOM 7 N LIG 1 1.162 0.716 1.861 0.00 0.00 -0.220 NA ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 -3.005 0.730 1.281 0.00 0.00 +0.005 A ATOM 9 C LIG 1 -3.503 0.107 0.117 0.00 0.00 +0.027 A ATOM 10 C LIG 1 -4.891 0.040 -0.102 0.00 0.00 +0.041 A ATOM 11 C LIG 1 -5.805 0.570 0.803 0.00 0.00 +0.080 A ATOM 12 N LIG 1 -7.136 0.428 0.455 0.00 0.00 -0.225 NA ATOM 13 C LIG 1 -7.244 -0.189 -0.697 0.00 0.00 +0.159 A ATOM 14 C LIG 1 -5.316 1.186 1.969 0.00 0.00 +0.029 A ATOM 15 S LIG 1 -5.752 -0.649 -1.421 0.00 0.00 -0.052 S ATOM 16 C LIG 1 -3.933 1.257 2.194 0.00 0.00 +0.012 A BRANCH 13 17 ATOM 17 N LIG 1 -8.411 -0.479 -1.321 0.00 0.00 -0.321 N ATOM 18 H LIG 1 -8.361 -1.195 -2.037 0.00 0.00 +0.148 HD BRANCH 17 19 ATOM 19 C LIG 1 -9.650 -0.423 -0.565 0.00 0.00 +0.072 C ATOM 20 C LIG 1 -10.785 -1.094 -1.348 0.00 0.00 +0.022 C ATOM 21 C LIG 1 -12.027 -0.328 -0.929 0.00 0.00 +0.002 C ATOM 22 C LIG 1 -11.538 1.109 -0.905 0.00 0.00 +0.002 C ATOM 23 C LIG 1 -10.125 1.023 -0.335 0.00 0.00 +0.022 C ENDBRANCH 17 19 ENDBRANCH 13 17 ENDBRANCH 3 8 BRANCH 1 24 ATOM 24 N LIG 1 1.157 -1.399 0.760 0.00 0.00 -0.268 N ATOM 25 H LIG 1 0.474 -1.958 0.268 0.00 0.00 +0.156 HD BRANCH 24 29 ATOM 26 C LIG 1 4.927 -1.645 -0.995 0.00 0.00 +0.055 A ATOM 27 C LIG 1 4.299 -0.434 -0.766 0.00 0.00 +0.126 A ATOM 28 N LIG 1 3.079 -0.318 -0.190 0.00 0.00 -0.239 NA ATOM 29 C LIG 1 2.421 -1.448 0.153 0.00 0.00 +0.125 A ATOM 30 C LIG 1 2.979 -2.707 -0.088 0.00 0.00 +0.044 A ATOM 31 C LIG 1 4.241 -2.810 -0.673 0.00 0.00 +0.018 A BRANCH 26 38 ATOM 32 C LIG 1 10.698 1.771 1.713 0.00 0.00 +0.109 C ATOM 33 C LIG 1 10.680 1.271 0.290 0.00 0.00 +0.213 C ATOM 34 N LIG 1 9.552 0.571 -0.122 0.00 0.00 -0.299 N ATOM 35 C LIG 1 8.270 0.619 0.591 0.00 0.00 +0.126 C ATOM 36 C LIG 1 7.398 -0.615 0.320 0.00 0.00 +0.127 C ATOM 37 N LIG 1 7.287 -0.919 -1.114 0.00 0.00 -0.294 N ATOM 38 C LIG 1 6.255 -1.708 -1.629 0.00 0.00 +0.248 C ATOM 39 O LIG 1 6.383 -2.443 -2.604 0.00 0.00 -0.270 OA ATOM 40 C LIG 1 8.578 -1.001 -1.804 0.00 0.00 +0.127 C ATOM 41 C LIG 1 9.458 0.227 -1.545 0.00 0.00 +0.126 C ATOM 42 O LIG 1 11.643 1.474 -0.448 0.00 0.00 -0.276 OA ENDBRANCH 26 38 ENDBRANCH 24 29 ENDBRANCH 1 24 TORSDOF 6