REMARK Name = BDB025804 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.596 -0.037 0.013 0.00 0.00 +0.056 A ATOM 2 C LIG 1 -1.028 -1.365 0.255 0.00 0.00 +0.054 A ATOM 3 C LIG 1 -0.059 -2.354 0.425 0.00 0.00 +0.064 A ATOM 4 C LIG 1 1.297 -2.035 0.349 0.00 0.00 +0.133 A ATOM 5 F LIG 1 2.179 -3.031 0.530 0.00 0.00 -0.205 F ATOM 6 C LIG 1 1.749 -0.731 0.097 0.00 0.00 +0.022 A ATOM 7 C LIG 1 0.768 0.263 -0.075 0.00 0.00 +0.036 A ENDROOT BRANCH 2 8 ATOM 8 N LIG 1 -2.411 -1.636 0.280 0.00 0.00 -0.325 N ATOM 9 C LIG 1 -2.912 -2.427 1.419 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -4.425 -2.741 1.244 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -4.966 -3.352 2.543 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -4.744 -3.478 -0.004 0.00 0.00 -0.297 NA ATOM 13 C LIG 1 -5.328 -4.802 0.125 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -3.721 -3.355 -1.068 0.00 0.00 +0.071 C ATOM 15 C LIG 1 -2.720 -4.522 -1.137 0.00 0.00 +0.026 C ATOM 16 C LIG 1 -2.974 -1.990 -1.046 0.00 0.00 +0.123 C ENDBRANCH 2 8 BRANCH 6 17 ATOM 17 C LIG 1 3.181 -0.407 0.016 0.00 0.00 +0.021 A ATOM 18 C LIG 1 4.118 -1.207 -0.606 0.00 0.00 +0.124 A ATOM 19 N LIG 1 5.438 -0.926 -0.698 0.00 0.00 -0.222 NA ATOM 20 C LIG 1 5.877 0.212 -0.141 0.00 0.00 +0.218 A ATOM 21 N LIG 1 5.051 1.059 0.493 0.00 0.00 -0.222 NA ATOM 22 C LIG 1 3.739 0.735 0.555 0.00 0.00 +0.124 A BRANCH 20 23 ATOM 23 N LIG 1 7.223 0.512 -0.193 0.00 0.00 -0.295 N ATOM 24 C LIG 1 8.059 -0.149 -1.199 0.00 0.00 +0.136 C ATOM 25 C LIG 1 8.774 0.903 -2.063 0.00 0.00 +0.179 C ATOM 26 O LIG 1 9.602 1.808 -1.313 0.00 0.00 -0.377 OA ATOM 27 C LIG 1 9.134 2.031 0.027 0.00 0.00 +0.179 C ATOM 28 C LIG 1 7.615 1.872 0.186 0.00 0.00 +0.136 C ENDBRANCH 20 23 ENDBRANCH 6 17 BRANCH 1 30 ATOM 29 C LIG 1 -1.505 2.289 -0.253 0.00 0.00 +0.248 C ATOM 30 N LIG 1 -1.623 0.925 -0.107 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -2.540 0.513 0.046 0.00 0.00 +0.155 HD ATOM 32 O LIG 1 -0.461 2.930 -0.281 0.00 0.00 -0.270 OA BRANCH 29 35 ATOM 33 C LIG 1 -4.010 5.102 0.057 0.00 0.00 +0.124 A ATOM 34 C LIG 1 -2.829 4.359 0.124 0.00 0.00 +0.058 A ATOM 35 C LIG 1 -2.794 3.034 -0.344 0.00 0.00 +0.043 A ATOM 36 C LIG 1 -3.940 2.463 -0.904 0.00 0.00 +0.051 A ATOM 37 C LIG 1 -5.108 3.212 -0.964 0.00 0.00 +0.128 A ATOM 38 F LIG 1 -6.208 2.666 -1.498 0.00 0.00 -0.205 F ATOM 39 C LIG 1 -5.154 4.516 -0.486 0.00 0.00 +0.084 A BRANCH 33 41 ATOM 40 C LIG 1 -3.023 7.054 0.991 0.00 0.00 +0.277 C ATOM 41 O LIG 1 -4.175 6.390 0.483 0.00 0.00 -0.495 OA ENDBRANCH 33 41 ENDBRANCH 29 35 ENDBRANCH 1 30 TORSDOF 6