REMARK Name = BDB025984 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.059 -0.442 -0.407 0.00 0.00 +0.022 A ATOM 2 C LIG 1 0.563 -1.642 -0.940 0.00 0.00 +0.133 A ATOM 3 F LIG 1 1.396 -2.667 -1.180 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.786 -1.823 -1.245 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -1.701 -0.791 -1.028 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -1.224 0.431 -0.495 0.00 0.00 +0.056 A ATOM 7 C LIG 1 0.132 0.595 -0.187 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -3.088 -0.925 -1.279 0.00 0.00 -0.326 N ATOM 9 C LIG 1 -3.783 -1.562 -0.125 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -5.231 -1.973 -0.519 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -6.039 -2.323 0.737 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -5.279 -2.978 -1.616 0.00 0.00 -0.300 NA ATOM 13 C LIG 1 -5.509 -4.358 -1.197 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -4.073 -2.909 -2.475 0.00 0.00 +0.103 C ATOM 15 C LIG 1 -3.460 -1.497 -2.598 0.00 0.00 +0.120 C ENDBRANCH 5 8 BRANCH 1 19 ATOM 16 C LIG 1 5.166 0.074 0.512 0.00 0.00 +0.218 A ATOM 17 N LIG 1 4.574 -1.091 0.816 0.00 0.00 -0.222 NA ATOM 18 C LIG 1 3.264 -1.234 0.510 0.00 0.00 +0.124 A ATOM 19 C LIG 1 2.483 -0.266 -0.089 0.00 0.00 +0.021 A ATOM 20 C LIG 1 3.190 0.890 -0.356 0.00 0.00 +0.124 A ATOM 21 N LIG 1 4.499 1.079 -0.073 0.00 0.00 -0.222 NA BRANCH 16 27 ATOM 22 C LIG 1 9.529 -1.775 1.946 0.00 0.00 +0.039 C ATOM 23 C LIG 1 8.716 -0.565 1.507 0.00 0.00 +0.133 C ATOM 24 O LIG 1 9.377 0.008 0.362 0.00 0.00 -0.374 OA ATOM 25 C LIG 1 8.490 0.716 -0.519 0.00 0.00 +0.179 C ATOM 26 C LIG 1 7.257 1.312 0.178 0.00 0.00 +0.136 C ATOM 27 N LIG 1 6.495 0.250 0.841 0.00 0.00 -0.295 N ATOM 28 C LIG 1 7.248 -0.948 1.226 0.00 0.00 +0.139 C ENDBRANCH 16 27 ENDBRANCH 1 19 BRANCH 6 29 ATOM 29 N LIG 1 -2.197 1.438 -0.330 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -3.119 1.133 -0.637 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -2.049 2.689 0.212 0.00 0.00 +0.250 C ATOM 32 O LIG 1 -1.038 3.178 0.702 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -3.320 3.472 0.220 0.00 0.00 +0.062 A ATOM 34 C LIG 1 -3.900 3.976 1.462 0.00 0.00 +0.036 A ATOM 35 C LIG 1 -5.029 4.710 1.415 0.00 0.00 +0.080 A ATOM 36 C LIG 1 -5.680 5.010 0.116 0.00 0.00 +0.249 A ATOM 37 O LIG 1 -6.707 5.674 0.055 0.00 0.00 -0.268 OA ATOM 38 N LIG 1 -5.059 4.496 -0.996 0.00 0.00 -0.328 N ATOM 39 H LIG 1 -5.499 4.715 -1.883 0.00 0.00 +0.168 HD ATOM 40 C LIG 1 -3.905 3.753 -0.956 0.00 0.00 +0.099 A BRANCH 34 41 ATOM 41 C LIG 1 -3.220 3.625 2.754 0.00 0.00 +0.372 C ATOM 42 F LIG 1 -3.190 2.274 2.921 0.00 0.00 -0.204 F ATOM 43 F LIG 1 -3.910 4.109 3.825 0.00 0.00 -0.204 F ENDBRANCH 34 41 ENDBRANCH 31 33 ENDBRANCH 6 29 TORSDOF 6