42612920 -OEChem-05072422322D 250265 0 1 0 0 0 0 0999 V2000 13.0644 -6.5997 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 9.8066 -4.6111 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 17.8168 -7.4087 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 9.5657 -1.0943 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 19.6735 -4.6111 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 8.5059 3.2283 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 24.1937 -2.9355 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 9.8185 -7.9428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9558 -4.9441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6365 -3.0976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8773 -7.4551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5573 0.5260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3496 -1.7316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0590 -6.7042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3943 -5.4201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4046 -8.2177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8965 -1.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5870 -4.2043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5059 2.2283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0699 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2291 -6.5997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2188 -3.8020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3867 -4.6351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2663 -5.8724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0802 -5.5246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8604 -9.8345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1365 -0.5587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.4551 -2.2544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2567 -0.1433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9702 -2.7486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5184 3.1132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.1072 -3.3422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2801 -2.5288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1810 6.3161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5059 4.2283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.1072 -1.1666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9599 -7.5942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9975 -5.1988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6259 -6.8209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3088 -1.7635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2667 -3.6975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1690 -5.6052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6156 -4.0233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0078 -7.9965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6119 6.0071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2842 8.0762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2348 -0.3512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7599 -5.0178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5059 3.2283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.1544 -4.2224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.6004 -2.0219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5059 3.2283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7869 -3.8490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8788 -3.3564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9049 -9.5360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7094 -4.0486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9818 -10.4496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2437 3.2190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3551 0.1049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.8236 -1.0296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1467 -0.3564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4408 -9.5360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0792 1.8102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8610 7.0581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.1034 2.3588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1467 -3.3564 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0389 -8.0360 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3493 -2.3544 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.8478 -8.9496 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0627 1.4965 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.8551 -0.7611 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 27.1763 -0.4944 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4597 8.0762 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.0128 -1.8564 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1729 -9.5360 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6614 2.5145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0621 -3.5133 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.7139 -10.4496 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.8551 0.9710 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 28.4635 0.6646 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4149 -2.9781 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.4459 -10.4496 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0420 8.7806 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.3551 1.8370 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2231 10.5032 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.6467 -5.8952 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9876 -6.3336 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4876 -7.1996 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6467 -5.8952 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3991 -8.1132 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9455 -2.1465 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3377 -4.9441 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0095 -6.5415 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6365 -3.0976 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8991 -7.2472 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0683 -8.8563 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1467 -4.3564 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9049 -7.5360 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1365 -1.5587 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.6915 -3.2098 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6399 1.7283 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3274 -2.1465 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.9818 -8.4496 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5354 0.7338 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5576 -2.7098 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9484 -2.5407 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7264 2.1350 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0572 1.3919 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3551 -1.6271 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4821 -7.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2345 -6.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2242 -3.9066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4924 -6.3336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2785 0.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9162 -2.7544 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.4711 -3.1165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9162 -1.7544 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 26.8673 -3.0634 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 26.8673 -1.4454 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3719 5.7283 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5629 6.3161 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8719 7.2671 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8719 7.2671 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 27.1763 -4.0145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3719 4.7283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0128 -2.8564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2807 -2.8564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0389 -9.0360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1729 -7.5360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6802 -1.6113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7139 -8.4496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0402 -3.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8478 -9.9496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6560 2.4099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4750 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8551 -0.7611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3551 0.1049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2807 -1.8564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3069 -8.0360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7020 -1.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5799 -8.9496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1544 -0.2865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5072 0.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4804 0.7921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3551 0.1049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1467 -1.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3069 -9.0360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3930 -2.7702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5799 -9.9496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0737 1.7056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8551 0.9710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0530 8.9897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4542 7.9716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8162 1.1998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7943 1.4078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6408 9.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6353 9.6942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9282 -6.4476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5974 -5.8518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7098 -7.7785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2591 -5.7982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0615 -7.5932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3839 -2.5849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2407 -4.3318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4306 -6.7637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3550 -3.6500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2893 -6.7653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4694 -9.0168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6992 -4.0749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6889 -1.2772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3850 -7.1984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1127 -3.4320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1599 1.3906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0753 -1.5801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.9494 -9.0688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3748 0.1349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.0394 -2.3196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5582 -2.0588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1275 2.2955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 0.8719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6928 -1.1072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3112 -7.9002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0394 -7.5760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6773 -6.9760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4054 -7.3002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6670 -4.1784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3951 -4.5026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0617 -5.8876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9784 -6.6803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7311 -0.2264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5600 0.6171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.3638 -2.4730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.1244 -3.6305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.9171 -3.5472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.3638 -2.0359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.4797 -3.1604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.4289 -1.0070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9244 5.4468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9259 -5.0500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1245 6.7545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6767 -6.0640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1534 7.8196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2707 -10.0261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6734 -0.2487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4843 7.1701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5554 -2.2878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9792 3.5280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.5623 -4.1008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.1547 -4.6341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5840 4.1457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9825 4.8360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7438 -3.1664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1729 -6.9160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8718 -1.0216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.7139 -7.8296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7271 0.1211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5451 -1.2980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.1720 -0.5500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4615 -7.9586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4312 -4.9467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5610 -6.2043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5497 -1.5463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7438 -1.5463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1729 -10.1561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7699 -7.7260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8985 -1.5719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6501 -3.6327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2872 -1.3584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1168 -8.6396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.9007 0.1199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1511 6.4219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4093 3.0809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1160 0.2905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6676 8.0113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7351 0.1049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8159 3.7652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.3460 -4.8121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.2360 -1.5204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4364 9.0545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.0699 0.7935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.4013 1.6606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3886 10.3651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2233 -3.5678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9829 -10.1396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.4459 -11.0696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6651 2.3739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7351 1.8370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9709 11.0696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8397 10.4384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 20 1 0 0 0 0 1 37 1 0 0 0 0 1 42 2 0 0 0 0 2 15 1 0 0 0 0 2 22 1 0 0 0 0 2 38 1 0 0 0 0 2 43 2 0 0 0 0 3 16 1 0 0 0 0 3 21 1 0 0 0 0 3 39 1 0 0 0 0 3 44 2 0 0 0 0 4 17 1 0 0 0 0 4 29 1 0 0 0 0 4 40 1 0 0 0 0 4 47 2 0 0 0 0 5 18 1 0 0 0 0 5 25 1 0 0 0 0 5 41 1 0 0 0 0 5 48 2 0 0 0 0 6 19 1 0 0 0 0 6 35 1 0 0 0 0 6 49 1 0 0 0 0 6 52 2 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 7 51 1 0 0 0 0 7 53 2 0 0 0 0 8 88 1 0 0 0 0 8 98 1 0 0 0 0 9 89 1 0 0 0 0 9 97 1 0 0 0 0 10 94 1 0 0 0 0 10102 1 0 0 0 0 11 95 1 0 0 0 0 11103 1 0 0 0 0 12104 1 0 0 0 0 12108 1 0 0 0 0 13105 1 0 0 0 0 13109 1 0 0 0 0 86 14 1 1 0 0 0 87 15 1 6 0 0 0 90 16 1 6 0 0 0 91 17 1 6 0 0 0 100 18 1 1 0 0 0 101 19 1 6 0 0 0 20110 1 0 0 0 0 21111 1 0 0 0 0 22112 1 0 0 0 0 92 23 1 1 0 0 0 23199 1 0 0 0 0 93 24 1 6 0 0 0 24201 1 0 0 0 0 25113 1 0 0 0 0 96 26 1 6 0 0 0 26203 1 0 0 0 0 99 27 1 6 0 0 0 27204 1 0 0 0 0 28118 1 0 0 0 0 28119 1 0 0 0 0 29114 1 0 0 0 0 106 30 1 1 0 0 0 30206 1 0 0 0 0 107 31 1 6 0 0 0 31207 1 0 0 0 0 115 32 1 1 0 0 0 33116 1 0 0 0 0 34120 1 0 0 0 0 34123 1 0 0 0 0 35125 1 0 0 0 0 117 36 1 1 0 0 0 36218 1 0 0 0 0 37219 1 0 0 0 0 38220 1 0 0 0 0 39221 1 0 0 0 0 40226 1 0 0 0 0 41227 1 0 0 0 0 121 45 1 1 0 0 0 45231 1 0 0 0 0 122 46 1 1 0 0 0 46234 1 0 0 0 0 49236 1 0 0 0 0 50124 1 0 0 0 0 50237 1 0 0 0 0 51238 1 0 0 0 0 54126 2 0 0 0 0 55128 2 0 0 0 0 56132 2 0 0 0 0 57133 2 0 0 0 0 58134 2 0 0 0 0 59137 2 0 0 0 0 60142 2 0 0 0 0 61146 2 0 0 0 0 62147 2 0 0 0 0 63150 2 0 0 0 0 64153 2 0 0 0 0 65155 2 0 0 0 0 97 66 1 6 0 0 0 66126 1 0 0 0 0 66127 1 0 0 0 0 98 67 1 1 0 0 0 67128 1 0 0 0 0 67129 1 0 0 0 0 102 68 1 1 0 0 0 68130 1 0 0 0 0 68132 1 0 0 0 0 103 69 1 1 0 0 0 69131 1 0 0 0 0 69133 1 0 0 0 0 108 70 1 1 0 0 0 70134 1 0 0 0 0 70135 1 0 0 0 0 109 71 1 6 0 0 0 71136 1 0 0 0 0 71137 1 0 0 0 0 119 72 1 6 0 0 0 72142 1 0 0 0 0 72143 1 0 0 0 0 123 73 1 6 0 0 0 73152 1 0 0 0 0 73153 1 0 0 0 0 74126 1 0 0 0 0 74146 1 0 0 0 0 74222 1 0 0 0 0 75128 1 0 0 0 0 75147 1 0 0 0 0 75224 1 0 0 0 0 76134 1 0 0 0 0 76150 1 0 0 0 0 76232 1 0 0 0 0 77132 1 0 0 0 0 77148 2 0 0 0 0 78133 1 0 0 0 0 78149 2 0 0 0 0 79137 1 0 0 0 0 79151 2 0 0 0 0 80142 1 0 0 0 0 80155 1 0 0 0 0 80240 1 0 0 0 0 81148 1 0 0 0 0 81243 1 0 0 0 0 81244 1 0 0 0 0 82149 1 0 0 0 0 82245 1 0 0 0 0 82246 1 0 0 0 0 83153 1 0 0 0 0 83157 2 0 0 0 0 84151 1 0 0 0 0 84247 1 0 0 0 0 84248 1 0 0 0 0 85157 1 0 0 0 0 85249 1 0 0 0 0 85250 1 0 0 0 0 86 89 1 0 0 0 0 86 92 1 0 0 0 0 86158 1 0 0 0 0 87 88 1 0 0 0 0 87 93 1 0 0 0 0 87159 1 0 0 0 0 88110 1 1 0 0 0 88160 1 0 0 0 0 89111 1 6 0 0 0 89161 1 0 0 0 0 90 95 1 0 0 0 0 90 96 1 0 0 0 0 90162 1 0 0 0 0 91 94 1 0 0 0 0 91 99 1 0 0 0 0 91163 1 0 0 0 0 92 97 1 0 0 0 0 92164 1 0 0 0 0 93 98 1 0 0 0 0 93165 1 0 0 0 0 94112 1 1 0 0 0 94166 1 0 0 0 0 95113 1 1 0 0 0 95167 1 0 0 0 0 96103 1 0 0 0 0 96168 1 0 0 0 0 97169 1 0 0 0 0 98171 1 0 0 0 0 99102 1 0 0 0 0 99170 1 0 0 0 0 100105 1 0 0 0 0 100106 1 0 0 0 0 100172 1 0 0 0 0 101104 1 0 0 0 0 101107 1 0 0 0 0 101173 1 0 0 0 0 102174 1 0 0 0 0 103175 1 0 0 0 0 104114 1 1 0 0 0 104176 1 0 0 0 0 105116 1 6 0 0 0 105177 1 0 0 0 0 106109 1 0 0 0 0 106178 1 0 0 0 0 107108 1 0 0 0 0 107179 1 0 0 0 0 108180 1 0 0 0 0 109181 1 0 0 0 0 110182 1 0 0 0 0 110183 1 0 0 0 0 111184 1 0 0 0 0 111185 1 0 0 0 0 112186 1 0 0 0 0 112187 1 0 0 0 0 113188 1 0 0 0 0 113189 1 0 0 0 0 114190 1 0 0 0 0 114191 1 0 0 0 0 115117 1 0 0 0 0 115118 1 0 0 0 0 115192 1 0 0 0 0 116193 1 0 0 0 0 116194 1 0 0 0 0 117119 1 0 0 0 0 117195 1 0 0 0 0 118124 1 6 0 0 0 118196 1 0 0 0 0 119197 1 0 0 0 0 120121 1 0 0 0 0 120125 1 6 0 0 0 120198 1 0 0 0 0 121122 1 0 0 0 0 121200 1 0 0 0 0 122123 1 0 0 0 0 122202 1 0 0 0 0 123205 1 0 0 0 0 124208 1 0 0 0 0 124209 1 0 0 0 0 125210 1 0 0 0 0 125211 1 0 0 0 0 127138 2 0 0 0 0 127212 1 0 0 0 0 129139 2 0 0 0 0 129213 1 0 0 0 0 130140 2 0 0 0 0 130214 1 0 0 0 0 131141 2 0 0 0 0 131215 1 0 0 0 0 135144 2 0 0 0 0 135216 1 0 0 0 0 136145 2 0 0 0 0 136217 1 0 0 0 0 138146 1 0 0 0 0 138223 1 0 0 0 0 139147 1 0 0 0 0 139225 1 0 0 0 0 140148 1 0 0 0 0 140228 1 0 0 0 0 141149 1 0 0 0 0 141229 1 0 0 0 0 143154 2 0 0 0 0 143230 1 0 0 0 0 144150 1 0 0 0 0 144233 1 0 0 0 0 145151 1 0 0 0 0 145235 1 0 0 0 0 152156 2 0 0 0 0 152239 1 0 0 0 0 154155 1 0 0 0 0 154241 1 0 0 0 0 156157 1 0 0 0 0 156242 1 0 0 0 0 M END > 42612920 > 1 > 6380 > 58 > 25 > 44 > AAADcfB//gOAAAAAAAAAAAAAAAAAASJEiRIgQIECAAAAAAAAAAAAHgAQCCAACBThgAYBAAPABxCoQCN2dICAAAEAAgAIAAAYAFCDEAIAgAAOQAAPFyITAMDwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [(2R,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3-[[(2R,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3-[[(2R,3S,4R,5R)-3-[[(2R,3S,4R,5R)-3-[[(2R,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3-[[(2R,3S,4R,5R)-3-[[(2R,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-4-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-4-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-4-hydroxy-tetrahydrofuran-2-yl]methyl [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] hydrogen phosphate > [(2R,3S,4R,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-3-[[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-3-[[(2R,3S,4R,5R)-3-[[(2R,3S,4R,5R)-3-[[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-3-[[(2R,3S,4R,5R)-3-[[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-5-(2,4-dioxo-1-pyrimidinyl)-4-hydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-4-hydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-5-(2,4-dioxo-1-pyrimidinyl)-4-hydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-5-(2,4-dioxo-1-pyrimidinyl)-4-hydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-4-hydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-4-hydroxy-2-oxolanyl]methyl [(2R,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl] hydrogen phosphate > [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,3S,4R,5R)-3-[[(2R,3S,4R,5R)-3-[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,3S,4R,5R)-3-[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methyl [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate > [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,3S,4R,5R)-3-[[(2R,3S,4R,5R)-3-[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,3S,4R,5R)-3-[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methyl [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate > [(2R,3S,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-[[(2R,3S,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-[[(2R,3S,4R,5R)-3-[[(2R,3S,4R,5R)-3-[[(2R,3S,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-[[(2R,3S,4R,5R)-3-[[(2R,3S,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-oxolan-2-yl]methyl [(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] hydrogen phosphate > [(2R,3S,4R,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-3-[[(2R,3S,4R,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-3-[[(2R,3S,4R,5R)-3-[[(2R,3S,4R,5R)-3-[[(2R,3S,4R,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-3-[[(2R,3S,4R,5R)-3-[[(2R,3S,4R,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-5-(2,4-diketopyrimidin-1-yl)-4-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-4-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-5-(2,4-diketopyrimidin-1-yl)-4-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-5-(2,4-diketopyrimidin-1-yl)-4-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-4-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-4-hydroxy-tetrahydrofuran-2-yl]methyl [(2R,3S,4R,5R)-5-(2,4-diketopyrimidin-1-yl)-4-hydroxy-2-methylol-tetrahydrofuran-3-yl] hydrogen phosphate > InChI=1S/C72H93N20O58P7/c73-33-1-9-85(65(107)77-33)57-42(99)41(98)26(137-57)18-129-151(115,116)145-54-30(141-62(47(54)104)90-14-6-38(95)82-70(90)112)22-133-154(121,122)147-53-29(140-61(46(53)103)88-12-4-36(76)80-68(88)110)21-132-156(125,126)149-55-32(143-63(48(55)105)91-15-7-39(96)83-71(91)113)24-135-157(127,128)150-56-31(142-64(49(56)106)92-16-8-40(97)84-72(92)114)23-134-155(123,124)148-52-28(139-60(45(52)102)87-11-3-35(75)79-67(87)109)20-131-153(119,120)146-51-27(138-59(44(51)101)86-10-2-34(74)78-66(86)108)19-130-152(117,118)144-50-25(17-93)136-58(43(50)100)89-13-5-37(94)81-69(89)111/h1-16,25-32,41-64,93,98-106H,17-24H2,(H,115,116)(H,117,118)(H,119,120)(H,121,122)(H,123,124)(H,125,126)(H,127,128)(H2,73,77,107)(H2,74,78,108)(H2,75,79,109)(H2,76,80,110)(H,81,94,111)(H,82,95,112)(H,83,96,113)(H,84,97,114)/t25-,26-,27-,28-,29-,30-,31-,32-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-/m1/s1 > QGYOBOXRYSXURK-ZQSSUWIESA-N > -24.8 > 2382.3105900 > C72H93N20O58P7 > 2383.4 > C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OC3C(OC(C3O)N4C=CC(=O)NC4=O)COP(=O)(O)OC5C(OC(C5O)N6C=CC(=NC6=O)N)COP(=O)(O)OC7C(OC(C7O)N8C=CC(=O)NC8=O)COP(=O)(O)OC9C(OC(C9O)N1C=CC(=O)NC1=O)COP(=O)(O)OC1C(OC(C1O)N1C=CC(=NC1=O)N)COP(=O)(O)OC1C(OC(C1O)N1C=CC(=NC1=O)N)COP(=O)(O)OC1C(OC(C1O)N1C=CC(=O)NC1=O)CO)O)O > C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O[C@@H]3[C@H](O[C@H]([C@@H]3O)N4C=CC(=O)NC4=O)COP(=O)(O)O[C@@H]5[C@H](O[C@H]([C@@H]5O)N6C=CC(=NC6=O)N)COP(=O)(O)O[C@@H]7[C@H](O[C@H]([C@@H]7O)N8C=CC(=O)NC8=O)COP(=O)(O)O[C@@H]9[C@H](O[C@H]([C@@H]9O)N1C=CC(=O)NC1=O)COP(=O)(O)O[C@@H]1[C@H](O[C@H]([C@@H]1O)N1C=CC(=NC1=O)N)COP(=O)(O)O[C@@H]1[C@H](O[C@H]([C@@H]1O)N1C=CC(=NC1=O)N)COP(=O)(O)O[C@@H]1[C@H](O[C@H]([C@@H]1O)N1C=CC(=O)NC1=O)CO)O)O > 1100 > 2382.3105900 > 0 > 157 > 32 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 104 114 5 105 116 6 118 124 6 120 125 6 127 138 8 129 139 8 130 140 8 131 141 8 135 144 8 136 145 8 138 146 8 139 147 8 86 14 5 140 148 8 141 149 8 143 154 8 144 150 8 145 151 8 87 15 6 152 156 8 154 155 8 156 157 8 90 16 6 91 17 6 100 18 5 101 19 6 92 23 5 93 24 6 96 26 6 99 27 6 106 30 5 107 31 6 115 32 5 117 36 5 121 45 5 122 46 5 66 126 8 66 127 8 97 66 6 67 128 8 67 129 8 98 67 5 102 68 5 68 130 8 68 132 8 103 69 5 69 131 8 69 133 8 108 70 5 70 134 8 70 135 8 109 71 6 71 136 8 71 137 8 119 72 6 72 142 8 72 143 8 123 73 6 73 152 8 73 153 8 74 126 8 74 146 8 75 128 8 75 147 8 76 134 8 76 150 8 77 132 8 77 148 8 78 133 8 78 149 8 79 137 8 79 151 8 80 142 8 80 155 8 83 153 8 83 157 8 88 110 5 89 111 6 94 112 5 95 113 5 $$$$