REMARK Name = BDB025968 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.887 -0.770 0.485 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.088 0.385 0.268 0.00 0.00 +0.056 A ATOM 3 C LIG 1 1.313 0.301 0.261 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.976 -0.910 0.520 0.00 0.00 +0.022 A ATOM 5 C LIG 1 1.173 -2.024 0.793 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.736 -3.208 1.082 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.222 -1.959 0.782 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -2.633 -2.590 -2.206 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -3.612 -1.610 -1.549 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.567 -2.299 -0.643 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -5.812 -1.528 -0.536 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.009 -2.556 0.710 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -3.331 -3.930 0.755 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.145 -1.425 1.339 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.281 -0.694 0.398 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -2.865 -0.404 -0.928 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 3.445 -0.993 0.523 0.00 0.00 +0.021 A ATOM 18 C LIG 1 4.268 -0.020 1.053 0.00 0.00 +0.124 A ATOM 19 N LIG 1 5.619 -0.073 1.070 0.00 0.00 -0.222 NA ATOM 20 C LIG 1 6.213 -1.148 0.526 0.00 0.00 +0.217 A ATOM 21 N LIG 1 5.505 -2.151 -0.016 0.00 0.00 -0.222 NA ATOM 22 C LIG 1 4.156 -2.052 -0.005 0.00 0.00 +0.124 A BRANCH 20 23 ATOM 23 N LIG 1 7.607 -1.213 0.504 0.00 0.00 -0.306 N ATOM 24 C LIG 1 8.142 -2.555 0.343 0.00 0.00 +0.132 C ATOM 25 C LIG 1 8.265 -0.354 1.474 0.00 0.00 +0.132 C ENDBRANCH 20 23 ENDBRANCH 4 17 BRANCH 2 26 ATOM 26 N LIG 1 -0.781 1.611 0.145 0.00 0.00 -0.280 N ATOM 27 H LIG 1 -1.780 1.508 0.288 0.00 0.00 +0.155 HD ATOM 28 C LIG 1 -0.269 2.861 -0.111 0.00 0.00 +0.249 C ATOM 29 O LIG 1 0.890 3.165 -0.348 0.00 0.00 -0.270 OA BRANCH 28 30 ATOM 30 C LIG 1 -1.282 3.944 -0.104 0.00 0.00 +0.049 A ATOM 31 C LIG 1 -1.380 4.843 -1.181 0.00 0.00 +0.070 A ATOM 32 C LIG 1 -2.328 5.880 -1.102 0.00 0.00 +0.051 A ATOM 33 C LIG 1 -3.151 5.998 0.013 0.00 0.00 +0.124 A ATOM 34 F LIG 1 -4.051 6.988 0.065 0.00 0.00 -0.205 F ATOM 35 C LIG 1 -3.055 5.107 1.074 0.00 0.00 +0.039 A ATOM 36 C LIG 1 -2.115 4.078 1.021 0.00 0.00 +0.016 A BRANCH 31 37 ATOM 37 C LIG 1 -0.508 4.717 -2.406 0.00 0.00 +0.418 C ATOM 38 F LIG 1 -0.396 3.437 -2.856 0.00 0.00 -0.166 F ATOM 39 F LIG 1 0.748 5.201 -2.232 0.00 0.00 -0.166 F ATOM 40 F LIG 1 -1.017 5.414 -3.467 0.00 0.00 -0.166 F ENDBRANCH 31 37 ENDBRANCH 28 30 ENDBRANCH 2 26 TORSDOF 6