REMARK Name = BDB050523 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.722 5.329 0.122 0.00 0.00 +0.109 C ATOM 2 C LIG 1 -3.631 4.288 0.728 0.00 0.00 +0.213 C ATOM 3 N LIG 1 -3.234 2.961 0.624 0.00 0.00 -0.297 N ATOM 4 C LIG 1 -1.866 2.578 0.219 0.00 0.00 +0.148 C ATOM 5 C LIG 1 -1.825 1.150 -0.185 0.00 0.00 +0.033 A ATOM 6 C LIG 1 -0.781 0.395 -0.763 0.00 0.00 +0.152 A ATOM 7 N LIG 1 -1.153 -0.876 -0.941 0.00 0.00 -0.155 NA ATOM 8 N LIG 1 -2.432 -0.938 -0.510 0.00 0.00 -0.263 N ATOM 9 C LIG 1 -2.865 0.259 -0.018 0.00 0.00 +0.048 A ATOM 10 C LIG 1 -4.180 0.624 0.563 0.00 0.00 +0.074 C ATOM 11 C LIG 1 -4.031 1.947 1.345 0.00 0.00 +0.114 C ATOM 12 O LIG 1 -4.681 4.632 1.271 0.00 0.00 -0.276 OA ENDROOT BRANCH 6 13 ATOM 13 N LIG 1 0.432 0.938 -1.082 0.00 0.00 -0.283 N ATOM 14 C LIG 1 1.689 0.425 -0.639 0.00 0.00 +0.039 A ATOM 15 C LIG 1 2.905 0.857 -1.200 0.00 0.00 -0.025 A ATOM 16 C LIG 1 4.126 0.344 -0.726 0.00 0.00 +0.014 A ATOM 17 C LIG 1 4.174 -0.581 0.328 0.00 0.00 -0.006 A ATOM 18 C LIG 1 2.977 -0.997 0.927 0.00 0.00 +0.027 A ATOM 19 C LIG 1 2.941 1.830 -2.349 0.00 0.00 +0.038 C ATOM 20 C LIG 1 1.616 2.556 -2.504 0.00 0.00 +0.024 C ATOM 21 C LIG 1 1.758 -0.485 0.434 0.00 0.00 +0.033 A ATOM 22 C LIG 1 0.486 1.543 -2.425 0.00 0.00 +0.113 C BRANCH 17 23 ATOM 23 C LIG 1 5.471 -1.071 0.749 0.00 0.00 +0.020 A ATOM 24 C LIG 1 6.480 -0.272 1.243 0.00 0.00 +0.116 A ATOM 25 N LIG 1 7.524 -1.108 1.514 0.00 0.00 -0.274 N ATOM 26 C LIG 1 8.804 -0.747 2.072 0.00 0.00 +0.172 C ATOM 27 N LIG 1 7.280 -2.394 1.200 0.00 0.00 -0.179 NA ATOM 28 C LIG 1 6.022 -2.371 0.749 0.00 0.00 +0.142 A ENDBRANCH 17 23 BRANCH 18 29 ATOM 29 C LIG 1 2.938 -1.973 2.074 0.00 0.00 +0.372 C ATOM 30 F LIG 1 3.748 -1.623 3.112 0.00 0.00 -0.204 F ATOM 31 F LIG 1 3.303 -3.234 1.710 0.00 0.00 -0.204 F ENDBRANCH 18 29 ENDBRANCH 6 13 BRANCH 8 32 ATOM 32 C LIG 1 -3.128 -2.214 -0.631 0.00 0.00 +0.110 C ATOM 33 C LIG 1 -3.322 -2.904 0.722 0.00 0.00 +0.042 C ATOM 34 C LIG 1 -4.271 -4.083 0.560 0.00 0.00 +0.083 C ATOM 35 N LIG 1 -5.603 -3.686 0.112 0.00 0.00 -0.316 NA ATOM 36 H LIG 1 -6.029 -4.450 -0.414 0.00 0.00 +0.122 HD ATOM 37 C LIG 1 -5.663 -2.441 -0.645 0.00 0.00 +0.083 C ATOM 38 C LIG 1 -4.415 -2.151 -1.471 0.00 0.00 +0.042 C ENDBRANCH 8 32 TORSDOF 4