ATOM 1 C3A R17 6493 1.591 1.450 -10.938 1.00 20.00 C+0 ATOM 2 C2A R17 6493 0.656 1.019 -10.128 1.00 20.00 C+0 ATOM 3 C1A R17 6493 0.889 -0.214 -9.296 1.00 20.00 C+0 ATOM 4 N1 R17 6493 0.782 0.127 -7.871 1.00 20.00 N+0 ATOM 5 C1B R17 6493 1.019 -1.113 -7.121 1.00 20.00 C+0 ATOM 6 C2B R17 6493 0.923 -0.832 -5.643 1.00 20.00 C+0 ATOM 7 C3B R17 6493 0.029 -1.453 -4.915 1.00 20.00 C+0 ATOM 8 C4B R17 6493 -0.066 -1.172 -3.437 1.00 20.00 C+0 ATOM 9 O5B R17 6493 -1.369 -0.672 -3.131 1.00 20.00 O+0 ATOM 10 C6C R17 6493 -1.395 -0.438 -1.793 1.00 20.00 C+0 ATOM 11 C7C R17 6493 -2.544 0.061 -1.207 1.00 20.00 C+0 ATOM 12 C7P R17 6493 -2.574 0.296 0.162 1.00 20.00 C+0 ATOM 13 O1C R17 6493 -3.523 0.763 0.998 1.00 20.00 O+0 ATOM 14 C2C R17 6493 -3.070 0.819 2.262 1.00 20.00 C+0 ATOM 15 C3C R17 6493 -1.790 0.386 2.313 1.00 20.00 C+0 ATOM 16 C3P R17 6493 -1.429 0.029 0.928 1.00 20.00 C+0 ATOM 17 C4C R17 6493 -0.278 -0.468 0.323 1.00 20.00 C+0 ATOM 18 C5C R17 6493 -0.265 -0.699 -1.024 1.00 20.00 C+0 ATOM 19 C1D R17 6493 -0.927 0.290 3.515 1.00 20.00 C+0 ATOM 20 C2D R17 6493 -1.306 -0.518 4.585 1.00 20.00 C+0 ATOM 21 C3D R17 6493 -0.499 -0.605 5.701 1.00 20.00 C+0 ATOM 22 C4D R17 6493 0.685 0.108 5.758 1.00 20.00 C+0 ATOM 23 C5D R17 6493 1.066 0.912 4.698 1.00 20.00 C+0 ATOM 24 C6D R17 6493 0.269 1.002 3.575 1.00 20.00 C+0 ATOM 25 BR25 R17 6493 1.786 -0.014 7.291 1.00 20.00 BR+0 ATOM 26 C1E R17 6493 1.904 1.025 -7.567 1.00 20.00 C+0 END