REMARK Name = BDB017667 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.509 0.329 1.012 0.00 0.00 -0.031 A ATOM 2 C LIG 1 1.557 -0.490 1.454 0.00 0.00 +0.031 A ATOM 3 C LIG 1 2.814 -0.414 0.850 0.00 0.00 +0.051 A ATOM 4 C LIG 1 3.063 0.467 -0.213 0.00 0.00 +0.020 A ATOM 5 C LIG 1 4.416 0.485 -0.820 0.00 0.00 +0.045 A ATOM 6 N LIG 1 4.658 1.286 -1.935 0.00 0.00 -0.343 N ATOM 7 H LIG 1 3.834 1.425 -2.513 0.00 0.00 +0.146 HD ATOM 8 C LIG 1 5.881 1.129 -2.715 0.00 0.00 +0.102 C ATOM 9 C LIG 1 7.057 0.906 -1.772 0.00 0.00 +0.023 C ATOM 10 C LIG 1 6.790 -0.283 -0.843 0.00 0.00 +0.044 C ATOM 11 C LIG 1 5.389 -0.285 -0.292 0.00 0.00 +0.038 A ATOM 12 C LIG 1 5.120 -1.201 0.849 0.00 0.00 +0.254 A ATOM 13 O LIG 1 5.996 -1.918 1.325 0.00 0.00 -0.268 OA ATOM 14 C LIG 1 2.018 1.304 -0.629 0.00 0.00 +0.012 A ATOM 15 N LIG 1 3.845 -1.224 1.335 0.00 0.00 -0.322 N ATOM 16 H LIG 1 3.679 -1.853 2.109 0.00 0.00 +0.169 HD ATOM 17 C LIG 1 0.755 1.234 -0.027 0.00 0.00 +0.005 A ENDROOT BRANCH 1 18 ATOM 18 C LIG 1 -0.854 0.260 1.671 0.00 0.00 +0.119 C BRANCH 18 22 ATOM 19 N LIG 1 -3.796 -0.153 0.439 0.00 0.00 -0.312 N ATOM 20 C LIG 1 -2.819 -0.777 -0.484 0.00 0.00 +0.122 C ATOM 21 C LIG 1 -1.728 -1.566 0.291 0.00 0.00 +0.103 C ATOM 22 N LIG 1 -1.438 -1.097 1.666 0.00 0.00 -0.295 NA ATOM 23 C LIG 1 -2.701 -1.107 2.451 0.00 0.00 +0.103 C ATOM 24 C LIG 1 -4.024 -0.968 1.646 0.00 0.00 +0.122 C BRANCH 19 26 ATOM 25 C LIG 1 -5.713 1.355 0.347 0.00 0.00 +0.092 A ATOM 26 C LIG 1 -4.987 0.271 -0.172 0.00 0.00 +0.139 A ATOM 27 N LIG 1 -5.417 -0.381 -1.280 0.00 0.00 -0.239 NA ATOM 28 C LIG 1 -6.569 0.019 -1.866 0.00 0.00 +0.113 A ATOM 29 C LIG 1 -7.342 1.066 -1.405 0.00 0.00 +0.021 A ATOM 30 C LIG 1 -6.903 1.748 -0.279 0.00 0.00 +0.024 A BRANCH 25 32 ATOM 31 N LIG 1 -4.912 2.701 2.414 0.00 0.00 -0.191 NA ATOM 32 C LIG 1 -5.250 2.093 1.483 0.00 0.00 +0.103 C ENDBRANCH 25 32 ENDBRANCH 19 26 ENDBRANCH 18 22 ENDBRANCH 1 18 TORSDOF 4