ATOM 1 C1 DA5 2854 -0.999 -3.789 -0.047 1.00 20.00 C+0 ATOM 2 C2 DA5 2854 0.345 -3.994 -0.053 1.00 20.00 C+0 ATOM 3 C3 DA5 2854 1.257 -2.948 -0.042 1.00 20.00 C+0 ATOM 4 C4 DA5 2854 0.840 -1.625 -0.025 1.00 20.00 C+0 ATOM 5 C5 DA5 2854 -2.825 1.495 0.023 1.00 20.00 C+0 ATOM 6 C6 DA5 2854 -4.163 1.735 0.029 1.00 20.00 C+0 ATOM 7 C7 DA5 2854 -5.096 0.699 0.018 1.00 20.00 C+0 ATOM 8 C8 DA5 2854 -4.712 -0.604 0.001 1.00 20.00 C+0 ATOM 9 C9 DA5 2854 -2.901 -2.250 -0.024 1.00 20.00 C+0 ATOM 10 N9 DA5 2854 -3.812 -3.311 -0.035 1.00 20.00 N+1 ATOM 11 N10 DA5 2854 -1.052 -0.100 -0.001 1.00 20.00 N+1 ATOM 12 C11 DA5 2854 -1.523 -2.482 -0.030 1.00 20.00 C+0 ATOM 13 C12 DA5 2854 -0.599 -1.344 -0.012 1.00 20.00 C+0 ATOM 14 C13 DA5 2854 -3.339 -0.923 -0.006 1.00 20.00 C+0 ATOM 15 C14 DA5 2854 -2.356 0.164 0.006 1.00 20.00 C+0 ATOM 16 BR DA5 2854 -1.600 2.935 0.037 1.00 20.00 BR+0 ATOM 17 CD1 DA5 2854 1.821 -0.527 -0.013 1.00 20.00 C+0 ATOM 18 OD1 DA5 2854 1.445 0.626 -0.103 1.00 20.00 O+0 ATOM 19 ND1 DA5 2854 3.136 -0.800 0.096 1.00 20.00 N+0 ATOM 20 CD2 DA5 2854 4.113 0.293 0.108 1.00 20.00 C+0 ATOM 21 CD3 DA5 2854 5.523 -0.285 0.241 1.00 20.00 C+0 ATOM 22 ND2 DA5 2854 6.502 0.811 0.252 1.00 20.00 N+0 ATOM 23 CD7 DA5 2854 7.794 0.218 0.623 1.00 20.00 C+0 ATOM 24 CD8 DA5 2854 6.632 1.274 -1.136 1.00 20.00 C+0 END