REMARK Name = BDB025929 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.532 -0.970 -0.148 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.897 0.295 -0.142 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.491 0.396 0.005 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.294 -0.750 0.154 0.00 0.00 +0.021 A ATOM 5 C LIG 1 0.643 -1.994 0.142 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.349 -3.126 0.291 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.739 -2.111 -0.005 0.00 0.00 +0.064 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -4.748 -4.160 -1.583 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.193 -3.214 -0.514 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.291 -2.812 0.407 0.00 0.00 -0.300 NA ATOM 11 C LIG 1 -5.465 -3.793 1.482 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -5.067 -1.459 0.967 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -3.582 -1.057 1.087 0.00 0.00 +0.120 C ATOM 14 N LIG 1 -2.943 -1.020 -0.255 0.00 0.00 -0.326 N ATOM 15 C LIG 1 -3.495 -2.011 -1.215 0.00 0.00 +0.123 C ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 C LIG 1 2.755 -0.636 0.312 0.00 0.00 +0.003 A ATOM 17 C LIG 1 3.648 -1.468 -0.360 0.00 0.00 +0.121 A ATOM 18 N LIG 1 5.002 -1.404 -0.266 0.00 0.00 -0.240 NA ATOM 19 C LIG 1 5.544 -0.469 0.539 0.00 0.00 +0.121 A ATOM 20 C LIG 1 4.729 0.402 1.261 0.00 0.00 +0.044 A ATOM 21 C LIG 1 3.339 0.320 1.146 0.00 0.00 +0.013 A BRANCH 19 22 ATOM 22 N LIG 1 6.944 -0.365 0.662 0.00 0.00 -0.311 N ATOM 23 C LIG 1 7.432 0.943 0.161 0.00 0.00 +0.134 C ATOM 24 C LIG 1 8.897 0.840 -0.292 0.00 0.00 +0.178 C ATOM 25 O LIG 1 9.092 -0.095 -1.366 0.00 0.00 -0.377 OA ATOM 26 C LIG 1 8.189 -1.216 -1.309 0.00 0.00 +0.178 C ATOM 27 C LIG 1 7.691 -1.519 0.111 0.00 0.00 +0.134 C ENDBRANCH 19 22 ENDBRANCH 4 16 BRANCH 2 28 ATOM 28 N LIG 1 -1.749 1.403 -0.326 0.00 0.00 -0.280 N ATOM 29 H LIG 1 -2.717 1.121 -0.471 0.00 0.00 +0.155 HD ATOM 30 C LIG 1 -1.441 2.737 -0.257 0.00 0.00 +0.250 C ATOM 31 O LIG 1 -0.364 3.244 0.032 0.00 0.00 -0.270 OA BRANCH 30 32 ATOM 32 C LIG 1 -2.618 3.619 -0.516 0.00 0.00 +0.062 A ATOM 33 C LIG 1 -3.077 4.593 0.470 0.00 0.00 +0.036 A ATOM 34 C LIG 1 -4.122 5.391 0.175 0.00 0.00 +0.080 A ATOM 35 C LIG 1 -4.802 5.289 -1.140 0.00 0.00 +0.249 A ATOM 36 O LIG 1 -5.752 6.007 -1.424 0.00 0.00 -0.268 OA ATOM 37 N LIG 1 -4.296 4.347 -2.002 0.00 0.00 -0.328 N ATOM 38 H LIG 1 -4.755 4.288 -2.904 0.00 0.00 +0.168 HD ATOM 39 C LIG 1 -3.229 3.534 -1.710 0.00 0.00 +0.099 A BRANCH 33 40 ATOM 40 C LIG 1 -2.374 4.643 1.796 0.00 0.00 +0.372 C ATOM 41 F LIG 1 -2.481 3.445 2.434 0.00 0.00 -0.204 F ATOM 42 F LIG 1 -2.953 5.553 2.630 0.00 0.00 -0.204 F ENDBRANCH 33 40 ENDBRANCH 30 32 ENDBRANCH 2 28 TORSDOF 6