18293373 -OEChem-04242415592D 184195 0 1 0 0 0 0 0999 V2000 17.5230 2.0255 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.9681 -1.2163 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 21.3619 -0.3659 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.8750 -4.0444 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 23.1139 2.6128 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 17.4185 1.0310 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 13.6373 -1.9594 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 22.1709 0.2219 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 9.9795 -3.0499 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 24.0275 3.0196 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 20.3098 2.6865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3416 1.2970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.2313 0.1756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4634 -5.2704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4130 0.9264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3804 -1.2903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7587 -0.5871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9740 -3.1544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4239 1.1355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5831 1.0310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.7037 5.8990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8941 -2.6286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.9410 3.4263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4342 2.1060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9146 -2.6704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9850 -2.9453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3139 0.0364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4904 -0.1477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3064 -2.7026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9799 0.8097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0840 -2.0553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.6342 5.1019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6208 3.9331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2328 4.2743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7793 3.0454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.3359 -2.8190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6478 -6.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.7092 7.7356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.2637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5008 4.2743 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6203 1.7582 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 26.2019 -1.3190 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3420 -6.6552 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.2092 6.8695 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.7637 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.3668 5.7743 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0851 3.4055 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 27.0679 -2.8190 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1830 -7.9424 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.2092 8.6016 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.7637 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.5008 7.2743 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3909 3.7656 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 28.8000 -2.8190 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7182 -9.5897 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.7092 9.4676 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -4.2637 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.0008 1.7354 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.1725 -0.3122 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.0008 1.7354 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.8416 0.4310 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 23.7532 -0.4826 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 18.6918 2.6865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2590 0.0946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2532 0.3835 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.3808 -4.0679 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.3589 -4.2758 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 19.5008 3.2743 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.3635 1.0891 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 24.4223 -1.2257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8808 -4.9340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3359 -0.8190 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.5499 -5.6771 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.8362 0.3265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5886 0.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0456 4.4208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.1020 -3.6067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8464 1.2970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9116 4.9208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 24.3024 5.0900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7092 6.0035 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.5837 -1.9272 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0837 -1.0612 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1056 -1.2691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.2637 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.5782 -2.0318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8251 4.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6348 4.7743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6693 1.4492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3668 4.7743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8283 2.7364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0679 -0.8190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0851 -7.3244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2019 -2.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3909 -6.9643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2092 6.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6348 5.7743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9261 2.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7092 7.7356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9339 -1.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8772 -8.3025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5008 6.2743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1341 3.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.7637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.2637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9339 -2.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9261 -8.6115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7092 7.7356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2092 8.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.2637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.7637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2823 1.1830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7714 -0.4726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6131 1.8324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1793 0.9510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.4155 0.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3818 3.2234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 2.4343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6525 0.2235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0674 -0.4951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.6434 0.8653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7616 -4.0355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9377 -4.4980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0532 3.5558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5240 1.6880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9207 -1.5901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.7323 -1.7626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3792 -4.5695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4659 -5.3947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.3034 -1.4381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9510 -5.8376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6653 -0.2695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3934 0.0547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0313 0.6546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7595 0.3304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.4667 4.1986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4306 -4.1325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6769 -3.3744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.4158 1.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.3324 0.9503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.3934 5.3110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.7655 5.4000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9380 4.5884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.0468 6.5235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8059 -2.5061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7029 -1.0288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0408 -0.6525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4856 -1.2691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4811 -1.9260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1798 -1.8818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5350 -1.4133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.4784 4.0001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.2711 4.0834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0978 4.4643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5404 0.8428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.0679 -0.1990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6748 -7.1328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8155 -0.3280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1260 0.3539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9129 -2.5737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.9151 1.4263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.8992 6.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0978 6.0843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3365 1.9268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.4709 -1.0090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3380 -8.7174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5824 -1.6909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.2006 4.8497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -4.0737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.0041 3.9979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.0892 7.7356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.8837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9638 7.5843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0377 7.5843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8013 3.5740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5198 4.3721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.3369 -2.5090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.8000 -3.4390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1790 -10.0046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1286 -9.7813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.0192 10.0046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.0892 9.4676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.9537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -4.8837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 2 7 2 0 0 0 0 3 8 2 0 0 0 0 4 9 2 0 0 0 0 5 10 2 0 0 0 0 6 15 1 0 0 0 0 6 19 1 0 0 0 0 6 27 1 0 0 0 0 7 16 1 0 0 0 0 7 22 1 0 0 0 0 7 29 1 0 0 0 0 8 17 1 0 0 0 0 8 20 1 0 0 0 0 8 30 1 0 0 0 0 9 18 1 0 0 0 0 9 26 1 0 0 0 0 9 31 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 10 33 1 0 0 0 0 11 60 1 0 0 0 0 11 68 1 0 0 0 0 12 61 1 0 0 0 0 12 69 1 0 0 0 0 13 65 1 0 0 0 0 13 72 1 0 0 0 0 14 67 1 0 0 0 0 14 73 1 0 0 0 0 15 58 1 0 0 0 0 16 59 1 0 0 0 0 17 62 1 0 0 0 0 18 66 1 0 0 0 0 19 74 1 0 0 0 0 20 75 1 0 0 0 0 21 79 1 0 0 0 0 21 81 1 0 0 0 0 22 77 1 0 0 0 0 23 76 1 0 0 0 0 24 78 1 0 0 0 0 25 82 1 0 0 0 0 25 85 1 0 0 0 0 26 86 1 0 0 0 0 27158 1 0 0 0 0 28 83 1 0 0 0 0 28159 1 0 0 0 0 29160 1 0 0 0 0 30161 1 0 0 0 0 31167 1 0 0 0 0 32 87 1 0 0 0 0 32168 1 0 0 0 0 33170 1 0 0 0 0 34 90 2 0 0 0 0 35 91 2 0 0 0 0 36 94 2 0 0 0 0 37 95 2 0 0 0 0 38 99 2 0 0 0 0 39105 2 0 0 0 0 40 68 1 0 0 0 0 40 88 1 0 0 0 0 40 90 1 0 0 0 0 41 69 1 0 0 0 0 41 89 1 0 0 0 0 41 91 1 0 0 0 0 42 72 1 0 0 0 0 42 92 1 0 0 0 0 42 94 1 0 0 0 0 43 73 1 0 0 0 0 43 93 1 0 0 0 0 43 95 1 0 0 0 0 44 81 1 0 0 0 0 44 96 1 0 0 0 0 44 99 1 0 0 0 0 45 85 1 0 0 0 0 45104 1 0 0 0 0 45105 1 0 0 0 0 46 90 1 0 0 0 0 46102 2 0 0 0 0 47 91 1 0 0 0 0 47103 2 0 0 0 0 48 94 1 0 0 0 0 48106 2 0 0 0 0 49 95 1 0 0 0 0 49107 2 0 0 0 0 50 99 1 0 0 0 0 50109 2 0 0 0 0 51105 1 0 0 0 0 51111 2 0 0 0 0 52102 1 0 0 0 0 52173 1 0 0 0 0 52174 1 0 0 0 0 53103 1 0 0 0 0 53175 1 0 0 0 0 53176 1 0 0 0 0 54106 1 0 0 0 0 54177 1 0 0 0 0 54178 1 0 0 0 0 55107 1 0 0 0 0 55179 1 0 0 0 0 55180 1 0 0 0 0 56109 1 0 0 0 0 56181 1 0 0 0 0 56182 1 0 0 0 0 57111 1 0 0 0 0 57183 1 0 0 0 0 57184 1 0 0 0 0 58 60 1 0 0 0 0 58 63 1 0 0 0 0 58112 1 0 0 0 0 59 61 1 0 0 0 0 59 64 1 0 0 0 0 59113 1 0 0 0 0 60 75 1 0 0 0 0 60114 1 0 0 0 0 61 74 1 0 0 0 0 61115 1 0 0 0 0 62 65 1 0 0 0 0 62 70 1 0 0 0 0 62116 1 0 0 0 0 63 68 1 0 0 0 0 63117 1 0 0 0 0 63118 1 0 0 0 0 64 69 1 0 0 0 0 64119 1 0 0 0 0 64120 1 0 0 0 0 65 78 1 0 0 0 0 65121 1 0 0 0 0 66 67 1 0 0 0 0 66 71 1 0 0 0 0 66122 1 0 0 0 0 67 77 1 0 0 0 0 67123 1 0 0 0 0 68124 1 0 0 0 0 69125 1 0 0 0 0 70 72 1 0 0 0 0 70126 1 0 0 0 0 70127 1 0 0 0 0 71 73 1 0 0 0 0 71128 1 0 0 0 0 71129 1 0 0 0 0 72130 1 0 0 0 0 73131 1 0 0 0 0 74132 1 0 0 0 0 74133 1 0 0 0 0 75134 1 0 0 0 0 75135 1 0 0 0 0 76 79 1 0 0 0 0 76 80 1 0 0 0 0 76136 1 0 0 0 0 77137 1 0 0 0 0 77138 1 0 0 0 0 78139 1 0 0 0 0 78140 1 0 0 0 0 79 87 1 0 0 0 0 79141 1 0 0 0 0 80 81 1 0 0 0 0 80142 1 0 0 0 0 80143 1 0 0 0 0 81144 1 0 0 0 0 82 83 1 0 0 0 0 82 86 1 0 0 0 0 82145 1 0 0 0 0 83 84 1 0 0 0 0 83146 1 0 0 0 0 84 85 1 0 0 0 0 84147 1 0 0 0 0 84148 1 0 0 0 0 85149 1 0 0 0 0 86150 1 0 0 0 0 86151 1 0 0 0 0 87152 1 0 0 0 0 87153 1 0 0 0 0 88 97 2 0 0 0 0 88154 1 0 0 0 0 89 98 2 0 0 0 0 89155 1 0 0 0 0 92100 2 0 0 0 0 92156 1 0 0 0 0 93101 2 0 0 0 0 93157 1 0 0 0 0 96108 2 0 0 0 0 96162 1 0 0 0 0 97102 1 0 0 0 0 97163 1 0 0 0 0 98103 1 0 0 0 0 98164 1 0 0 0 0 100106 1 0 0 0 0 100165 1 0 0 0 0 101107 1 0 0 0 0 101166 1 0 0 0 0 104110 2 0 0 0 0 104169 1 0 0 0 0 108109 1 0 0 0 0 108171 1 0 0 0 0 110111 1 0 0 0 0 110172 1 0 0 0 0 M END > 18293373 > 1 > 4340 > 34 > 13 > 32 > AAADcfB//gPwAAAAAAAAAAAAAAAAASJEiRIgQIECAAAAAAAAAAAAHgAQCCAACBThgAYBAANABxCoACJmdACAAAEAAgAIAAAYABCBEAIAgAAOQAAHFgIDAACwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 4-amino-1-[5-[[[5-(4-amino-2-oxo-pyrimidin-1-yl)-2-[[[5-(4-amino-2-oxo-pyrimidin-1-yl)-2-[[[5-(4-amino-2-oxo-pyrimidin-1-yl)-2-[[[5-(4-amino-2-oxo-pyrimidin-1-yl)-2-[[[5-(4-amino-2-oxo-pyrimidin-1-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy-hydroxy-phosphinothioyl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-phosphinothioyl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-phosphinothioyl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-phosphinothioyl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-phosphinothioyl]oxymethyl]-4-hydroxy-tetrahydrofuran-2-yl]pyrimidin-2-one > 4-amino-1-[5-[[[5-(4-amino-2-oxo-1-pyrimidinyl)-2-[[[5-(4-amino-2-oxo-1-pyrimidinyl)-2-[[[5-(4-amino-2-oxo-1-pyrimidinyl)-2-[[[5-(4-amino-2-oxo-1-pyrimidinyl)-2-[[[5-(4-amino-2-oxo-1-pyrimidinyl)-2-(hydroxymethyl)-3-oxolanyl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-oxolanyl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-oxolanyl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-oxolanyl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-oxolanyl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-hydroxy-2-oxolanyl]-2-pyrimidinone > 4-amino-1-[5-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-hydroxyoxolan-2-yl]pyrimidin-2-one > 4-amino-1-[5-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-hydroxyoxolan-2-yl]pyrimidin-2-one > 4-azanyl-1-[5-[[[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-[[[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-[[[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-[[[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-[[[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-oxidanyl-phosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidanyl-phosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidanyl-phosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidanyl-phosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidanyl-phosphinothioyl]oxymethyl]-4-oxidanyl-oxolan-2-yl]pyrimidin-2-one > 4-amino-1-[5-[[[5-(4-amino-2-keto-pyrimidin-1-yl)-2-[[[5-(4-amino-2-keto-pyrimidin-1-yl)-2-[[[5-(4-amino-2-keto-pyrimidin-1-yl)-2-[[[5-(4-amino-2-keto-pyrimidin-1-yl)-2-[[[5-(4-amino-2-keto-pyrimidin-1-yl)-2-methylol-tetrahydrofuran-3-yl]oxy-hydroxy-thiophosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-thiophosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-thiophosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-thiophosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-thiophosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-2-yl]pyrimidin-2-one > InChI=1S/C54H73N18O29P5S5/c55-37-1-7-67(49(75)61-37)43-13-25(74)32(92-43)20-86-102(81,107)98-27-15-45(69-9-3-39(57)63-51(69)77)94-34(27)22-88-104(83,109)100-29-17-47(71-11-5-41(59)65-53(71)79)96-36(29)24-90-106(85,111)101-30-18-48(72-12-6-42(60)66-54(72)80)95-35(30)23-89-105(84,110)99-28-16-46(70-10-4-40(58)64-52(70)78)93-33(28)21-87-103(82,108)97-26-14-44(91-31(26)19-73)68-8-2-38(56)62-50(68)76/h1-12,25-36,43-48,73-74H,13-24H2,(H,81,107)(H,82,108)(H,83,109)(H,84,110)(H,85,111)(H2,55,61,75)(H2,56,62,76)(H2,57,63,77)(H2,58,64,78)(H2,59,65,79)(H2,60,66,80) > KOMPLGMELCMMDH-UHFFFAOYSA-N > -5.1 > 1752.2082492 > C54H73N18O29P5S5 > 1753.5 > C1C(C(OC1N2C=CC(=NC2=O)N)COP(=S)(O)OC3CC(OC3COP(=S)(O)OC4CC(OC4COP(=S)(O)OC5CC(OC5COP(=S)(O)OC6CC(OC6COP(=S)(O)OC7CC(OC7CO)N8C=CC(=NC8=O)N)N9C=CC(=NC9=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)O > C1C(C(OC1N2C=CC(=NC2=O)N)COP(=S)(O)OC3CC(OC3COP(=S)(O)OC4CC(OC4COP(=S)(O)OC5CC(OC5COP(=S)(O)OC6CC(OC6COP(=S)(O)OC7CC(OC7CO)N8C=CC(=NC8=O)N)N9C=CC(=NC9=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)O > 802 > 1752.2082492 > 0 > 111 > 0 > 18 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 100 106 8 101 107 8 104 110 8 108 109 8 110 111 8 58 15 3 59 16 3 62 17 3 66 18 3 76 23 3 83 28 3 68 40 3 40 88 8 40 90 8 69 41 3 41 89 8 41 91 8 72 42 3 42 92 8 42 94 8 73 43 3 43 93 8 43 95 8 81 44 3 44 96 8 44 99 8 45 104 8 45 105 8 85 45 3 46 102 8 46 90 8 47 103 8 47 91 8 48 106 8 48 94 8 49 107 8 49 95 8 50 109 8 50 99 8 51 105 8 51 111 8 60 75 3 61 74 3 65 78 3 67 77 3 79 87 3 82 86 3 88 97 8 89 98 8 92 100 8 93 101 8 96 108 8 97 102 8 98 103 8 $$$$