REMARK Name = BDB026219 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.862 -0.325 1.001 0.00 0.00 +0.015 A ATOM 2 C LIG 1 0.185 -1.465 1.441 0.00 0.00 +0.133 A ATOM 3 F LIG 1 0.857 -2.479 2.008 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.200 -1.586 1.322 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -1.966 -0.574 0.740 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -1.289 0.614 0.349 0.00 0.00 +0.056 A ATOM 7 C LIG 1 0.104 0.721 0.458 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -3.343 -0.700 0.538 0.00 0.00 -0.325 N ATOM 9 C LIG 1 -4.212 -1.375 1.517 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -4.824 -2.730 1.040 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -3.976 -3.934 1.474 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -5.251 -2.733 -0.374 0.00 0.00 -0.297 NA ATOM 13 C LIG 1 -5.842 -3.980 -0.834 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -4.298 -2.125 -1.323 0.00 0.00 +0.071 C ATOM 15 C LIG 1 -3.092 -2.985 -1.722 0.00 0.00 +0.026 C ATOM 16 C LIG 1 -3.838 -0.719 -0.857 0.00 0.00 +0.123 C ENDBRANCH 5 8 BRANCH 1 20 ATOM 17 N LIG 1 5.111 0.172 0.992 0.00 0.00 -0.311 N ATOM 18 C LIG 1 4.639 -1.221 0.982 0.00 0.00 +0.111 C ATOM 19 C LIG 1 3.187 -1.270 0.482 0.00 0.00 +0.054 C ATOM 20 C LIG 1 2.327 -0.202 1.111 0.00 0.00 -0.038 C ATOM 21 C LIG 1 2.888 0.831 1.769 0.00 0.00 -0.004 C ATOM 22 C LIG 1 4.373 1.039 1.920 0.00 0.00 +0.134 C BRANCH 17 27 ATOM 23 C LIG 1 8.688 -0.071 0.288 0.00 0.00 +0.219 A ATOM 24 N LIG 1 9.243 0.640 1.278 0.00 0.00 -0.201 NA ATOM 25 C LIG 1 8.369 1.179 2.132 0.00 0.00 +0.227 A ATOM 26 N LIG 1 7.033 1.058 2.087 0.00 0.00 -0.221 NA ATOM 27 C LIG 1 6.509 0.315 1.094 0.00 0.00 +0.128 A ATOM 28 C LIG 1 7.332 -0.263 0.145 0.00 0.00 +0.110 A BRANCH 23 30 ATOM 29 C LIG 1 10.877 -0.402 -0.481 0.00 0.00 +0.279 C ATOM 30 O LIG 1 9.490 -0.664 -0.670 0.00 0.00 -0.480 OA ENDBRANCH 23 30 ENDBRANCH 17 27 ENDBRANCH 1 20 BRANCH 6 31 ATOM 31 N LIG 1 -2.105 1.689 -0.068 0.00 0.00 -0.280 N ATOM 32 H LIG 1 -3.096 1.494 0.045 0.00 0.00 +0.155 HD ATOM 33 C LIG 1 -1.726 2.884 -0.623 0.00 0.00 +0.250 C ATOM 34 O LIG 1 -0.602 3.250 -0.940 0.00 0.00 -0.270 OA BRANCH 33 35 ATOM 35 C LIG 1 -2.890 3.767 -0.919 0.00 0.00 +0.062 A ATOM 36 C LIG 1 -3.273 4.093 -2.288 0.00 0.00 +0.036 A ATOM 37 C LIG 1 -4.314 4.919 -2.504 0.00 0.00 +0.080 A ATOM 38 C LIG 1 -5.069 5.495 -1.362 0.00 0.00 +0.249 A ATOM 39 O LIG 1 -6.018 6.247 -1.540 0.00 0.00 -0.268 OA ATOM 40 N LIG 1 -4.633 5.127 -0.112 0.00 0.00 -0.328 N ATOM 41 H LIG 1 -5.143 5.532 0.666 0.00 0.00 +0.168 HD ATOM 42 C LIG 1 -3.568 4.290 0.115 0.00 0.00 +0.099 A BRANCH 36 43 ATOM 43 C LIG 1 -2.491 3.462 -3.404 0.00 0.00 +0.372 C ATOM 44 F LIG 1 -2.609 2.107 -3.354 0.00 0.00 -0.204 F ATOM 45 F LIG 1 -2.983 3.827 -4.622 0.00 0.00 -0.204 F ENDBRANCH 36 43 ENDBRANCH 33 35 ENDBRANCH 6 31 TORSDOF 7