REMARK Name = BDB019619 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.216 0.819 -0.112 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -0.190 -0.578 -0.233 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -1.309 -1.285 -0.704 0.00 0.00 -0.012 A ATOM 4 C LIG 1 -2.460 -0.556 -1.052 0.00 0.00 +0.014 A ATOM 5 C LIG 1 -2.507 0.842 -0.932 0.00 0.00 -0.029 A ATOM 6 C LIG 1 -1.379 1.520 -0.451 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -1.279 -2.751 -0.840 0.00 0.00 +0.046 A ATOM 8 C LIG 1 -1.038 -3.623 0.238 0.00 0.00 +0.223 A ATOM 9 N LIG 1 -0.999 -4.976 0.132 0.00 0.00 -0.218 NA ATOM 10 C LIG 1 -1.211 -5.496 -1.097 0.00 0.00 +0.153 A ATOM 11 C LIG 1 -1.459 -4.728 -2.217 0.00 0.00 +0.142 A ATOM 12 F LIG 1 -1.659 -5.303 -3.409 0.00 0.00 -0.204 F ATOM 13 C LIG 1 -1.494 -3.347 -2.093 0.00 0.00 +0.053 A BRANCH 8 14 ATOM 14 O LIG 1 -0.844 -3.054 1.484 0.00 0.00 -0.479 OA ATOM 15 C LIG 1 -0.614 -4.005 2.518 0.00 0.00 +0.279 C ENDBRANCH 8 14 ENDBRANCH 3 7 BRANCH 1 18 ATOM 16 N LIG 1 2.186 1.017 0.235 0.00 0.00 -0.306 N ATOM 17 H LIG 1 2.327 0.199 -0.347 0.00 0.00 +0.149 HD ATOM 18 C LIG 1 0.951 1.591 0.398 0.00 0.00 +0.244 C ATOM 19 O LIG 1 0.792 2.694 0.910 0.00 0.00 -0.270 OA BRANCH 16 20 ATOM 20 C LIG 1 3.398 1.711 0.612 0.00 0.00 +0.160 C BRANCH 20 23 ATOM 21 C LIG 1 7.000 0.541 0.484 0.00 0.00 +0.123 A ATOM 22 C LIG 1 5.872 1.306 0.774 0.00 0.00 +0.070 A ATOM 23 C LIG 1 4.629 0.880 0.318 0.00 0.00 +0.062 A ATOM 24 N LIG 1 4.471 -0.258 -0.414 0.00 0.00 -0.258 NA ATOM 25 C LIG 1 5.583 -0.977 -0.678 0.00 0.00 +0.114 A ATOM 26 C LIG 1 6.855 -0.625 -0.256 0.00 0.00 +0.065 A BRANCH 21 28 ATOM 27 C LIG 1 9.355 0.297 0.710 0.00 0.00 +0.277 C ATOM 28 O LIG 1 8.173 1.042 0.978 0.00 0.00 -0.495 OA ENDBRANCH 21 28 ENDBRANCH 20 23 ENDBRANCH 16 20 ENDBRANCH 1 18 BRANCH 5 29 ATOM 29 C LIG 1 -3.764 1.605 -1.277 0.00 0.00 +0.139 C BRANCH 29 30 ATOM 30 N LIG 1 -4.414 2.034 -0.056 0.00 0.00 -0.313 N ATOM 31 H LIG 1 -4.394 1.337 0.679 0.00 0.00 +0.149 HD BRANCH 30 32 ATOM 32 C LIG 1 -5.577 2.715 -0.112 0.00 0.00 +0.176 C ATOM 33 N LIG 1 -6.160 2.905 1.101 0.00 0.00 -0.316 N ATOM 34 H LIG 1 -5.494 3.134 1.829 0.00 0.00 +0.149 HD ATOM 35 C LIG 1 -7.210 3.885 0.909 0.00 0.00 +0.127 C ATOM 36 C LIG 1 -7.388 3.849 -0.612 0.00 0.00 +0.163 C ATOM 37 N LIG 1 -6.157 3.216 -1.160 0.00 0.00 -0.255 NA ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 5 29 TORSDOF 9