mcule 28032411302D 21 22 0 0 0 0 0 0 0 0999 V2000 0.4832 0.0042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.1458 -0.1084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1917 -0.3959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1957 -0.9584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7749 0.9749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3793 0.8500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4625 0.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4417 -0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2084 3.2083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8750 -0.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6583 1.5416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6791 -1.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9167 2.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2459 2.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6875 1.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9499 -1.9459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6457 -1.5459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0249 1.9832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 -2.9043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8708 -2.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 -3.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 7 1 0 0 0 0 4 1 2 0 0 0 0 5 1 2 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 1 1 0 0 0 0 9 13 1 0 0 0 0 10 2 2 0 0 0 0 11 6 1 0 0 0 0 12 8 1 0 0 0 0 13 11 2 0 0 0 0 14 18 1 0 0 0 0 15 11 1 0 0 0 0 16 12 1 0 0 0 0 17 12 2 0 0 0 0 18 15 2 0 0 0 0 19 16 2 0 0 0 0 20 17 1 0 0 0 0 21 20 2 0 0 0 0 19 21 1 0 0 0 0 9 14 2 0 0 0 0 M END > P-19863885 $$$$