66561124 -OEChem-05082422012D 181189 0 1 0 0 0 0 0999 V2000 12.9986 3.7243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0065 5.7726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -1.9796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5825 7.8146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7304 7.0734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.9796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8725 4.2726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -3.9796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -4.9796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -4.4796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.9796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -5.4796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -4.4796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.9796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.4796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.4796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -4.9796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.4796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -6.9796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -7.9796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.4796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.0204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -7.9796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -6.4796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -7.4796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -6.4796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2322 2.7206 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3681 2.2173 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3561 1.1758 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2284 3.7206 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2562 0.6515 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1442 2.2173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3604 4.2173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3404 5.2587 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2363 5.7900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1562 1.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1364 4.2310 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2687 -0.4335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5002 2.7140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4062 0.6515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1404 5.2726 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2164 2.8981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4963 3.7140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -0.9796 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4920 1.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2138 3.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3864 5.7757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3936 -0.4335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2405 6.8749 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3655 6.8605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2988 7.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0965 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2687 -0.4258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7754 -1.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8522 7.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3656 6.8451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -2.4796 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8725 5.2726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -3.4796 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7385 5.7726 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5991 -3.9796 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7331 -3.4796 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 -2.4796 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6045 5.2726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.9796 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7385 6.7726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0171 -1.8296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -4.9796 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0010 -3.4796 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4706 5.7726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.9796 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1972 -5.4796 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -1.4796 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -1.9796 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1972 -6.4796 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4651 -6.4796 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3312 -6.9796 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -0.4796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.9796 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5991 -6.9796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -5.9796 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -6.4796 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 -4.9796 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 -5.9796 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5369 -4.4796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1026 1.7895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9955 0.2322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7562 2.1183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3465 2.8034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6142 4.8168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3720 0.5945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7658 1.2889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6751 4.5379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8892 2.8193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2904 2.1306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2039 1.2375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7941 0.5524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6768 4.9616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3264 2.2879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8265 3.0081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1063 3.5082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9582 4.0219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8687 -1.2885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8041 2.2148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9563 1.9912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1799 1.1434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1085 2.9398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8248 3.4455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3191 4.1618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7736 5.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1887 5.1881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7840 -0.3203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1778 -1.0147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8509 6.7661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6943 7.8913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8960 7.8852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1756 5.6850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6925 6.7702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2734 -1.0457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8887 -0.4210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2639 0.1942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2408 -1.6097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0895 -1.8301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3099 -0.9815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9938 3.1044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3843 8.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5340 8.2508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3201 7.4004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3561 7.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7457 6.8355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3752 6.2251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1840 8.2896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 -2.7896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3422 6.9728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -4.0996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2016 6.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 -4.2896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7992 -1.8631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2060 4.7977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0031 4.7977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6032 -2.5546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3585 6.7726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7385 7.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1185 6.7726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -5.2896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -4.6696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -3.7896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -4.7896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7806 5.2357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0075 6.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1606 6.3096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.5996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 -5.7896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -1.1696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.2896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -7.0996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -0.6696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -6.1696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -7.2896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7890 0.1030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3905 -0.5872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -5.2896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.1696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 -5.2896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.8596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3871 -6.3970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9885 -7.0872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -6.5996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 -6.6696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 -8.2896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.6404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -6.7896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.3596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -6.5996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 -8.2896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -6.1696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8469 -3.9426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.1696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2269 -5.0165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -7.7896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.1696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 37 1 1 6 0 0 0 1125 1 0 0 0 0 41 2 1 6 0 0 0 2 58 1 0 0 0 0 44 3 1 1 0 0 0 57 3 1 1 0 0 0 49 4 1 6 0 0 0 4132 1 0 0 0 0 5 52 1 0 0 0 0 5134 1 0 0 0 0 6 57 1 0 0 0 0 6 63 1 0 0 0 0 7 58 2 0 0 0 0 59 8 1 6 0 0 0 68 8 1 1 0 0 0 61 9 1 1 0 0 0 9145 1 0 0 0 0 62 10 1 6 0 0 0 10148 1 0 0 0 0 11 65 1 0 0 0 0 11 73 1 0 0 0 0 12 68 1 0 0 0 0 12 76 1 0 0 0 0 69 13 1 6 0 0 0 79 13 1 1 0 0 0 14 67 1 0 0 0 0 14157 1 0 0 0 0 15 67 2 0 0 0 0 71 16 1 1 0 0 0 16163 1 0 0 0 0 72 17 1 6 0 0 0 17164 1 0 0 0 0 74 18 1 1 0 0 0 18165 1 0 0 0 0 75 19 1 1 0 0 0 19169 1 0 0 0 0 77 20 1 6 0 0 0 20170 1 0 0 0 0 21 79 1 0 0 0 0 21 83 1 0 0 0 0 22 78 1 0 0 0 0 22171 1 0 0 0 0 23 80 1 0 0 0 0 23175 1 0 0 0 0 81 24 1 6 0 0 0 24176 1 0 0 0 0 82 25 1 6 0 0 0 25180 1 0 0 0 0 84 26 1 1 0 0 0 26181 1 0 0 0 0 27 28 1 0 0 0 0 27 30 1 0 0 0 0 27 32 1 0 0 0 0 27 42 1 1 0 0 0 28 29 1 0 0 0 0 28 39 1 0 0 0 0 28 86 1 6 0 0 0 29 31 1 0 0 0 0 29 40 1 0 0 0 0 29 45 1 1 0 0 0 30 33 1 0 0 0 0 30 37 1 0 0 0 0 30 46 1 6 0 0 0 31 36 1 0 0 0 0 31 38 1 0 0 0 0 31 87 1 6 0 0 0 32 36 1 0 0 0 0 32 88 1 0 0 0 0 32 89 1 0 0 0 0 33 34 1 0 0 0 0 33 43 2 0 0 0 0 34 35 1 0 0 0 0 34 47 1 0 0 0 0 34 90 1 1 0 0 0 35 41 1 0 0 0 0 35 49 1 0 0 0 0 35 52 1 1 0 0 0 36 91 1 0 0 0 0 36 92 1 0 0 0 0 37 41 1 0 0 0 0 37 93 1 0 0 0 0 38 44 1 0 0 0 0 38 53 1 0 0 0 0 38 54 1 0 0 0 0 39 43 1 0 0 0 0 39 94 1 0 0 0 0 39 95 1 0 0 0 0 40 48 1 0 0 0 0 40 96 1 0 0 0 0 40 97 1 0 0 0 0 41 98 1 0 0 0 0 42 99 1 0 0 0 0 42100 1 0 0 0 0 42101 1 0 0 0 0 43102 1 0 0 0 0 44 48 1 0 0 0 0 44103 1 0 0 0 0 45104 1 0 0 0 0 45105 1 0 0 0 0 45106 1 0 0 0 0 46107 1 0 0 0 0 46108 1 0 0 0 0 46109 1 0 0 0 0 47 50 1 0 0 0 0 47110 1 0 0 0 0 47111 1 0 0 0 0 48112 1 0 0 0 0 48113 1 0 0 0 0 49 51 1 0 0 0 0 49114 1 0 0 0 0 50 51 1 0 0 0 0 50 55 1 0 0 0 0 50 56 1 0 0 0 0 51115 1 0 0 0 0 51116 1 0 0 0 0 52117 1 0 0 0 0 52118 1 0 0 0 0 53119 1 0 0 0 0 53120 1 0 0 0 0 53121 1 0 0 0 0 54122 1 0 0 0 0 54123 1 0 0 0 0 54124 1 0 0 0 0 55126 1 0 0 0 0 55127 1 0 0 0 0 55128 1 0 0 0 0 56129 1 0 0 0 0 56130 1 0 0 0 0 56131 1 0 0 0 0 57 59 1 0 0 0 0 57133 1 0 0 0 0 58 60 1 0 0 0 0 59 61 1 0 0 0 0 59135 1 0 0 0 0 60 64 1 0 0 0 0 60 66 1 1 0 0 0 60136 1 0 0 0 0 61 62 1 0 0 0 0 61137 1 0 0 0 0 62 63 1 0 0 0 0 62 65 1 0 0 0 0 63 67 1 1 0 0 0 63138 1 0 0 0 0 64 70 1 0 0 0 0 64139 1 0 0 0 0 64140 1 0 0 0 0 65 69 1 0 0 0 0 65141 1 6 0 0 0 66142 1 0 0 0 0 66143 1 0 0 0 0 66144 1 0 0 0 0 68 72 1 0 0 0 0 68146 1 0 0 0 0 69 71 1 0 0 0 0 69147 1 0 0 0 0 70149 1 0 0 0 0 70150 1 0 0 0 0 70151 1 0 0 0 0 71 74 1 0 0 0 0 71152 1 0 0 0 0 72 75 1 0 0 0 0 72153 1 0 0 0 0 73 74 1 0 0 0 0 73 78 1 1 0 0 0 73154 1 0 0 0 0 74155 1 0 0 0 0 75 77 1 0 0 0 0 75156 1 0 0 0 0 76 77 1 0 0 0 0 76 80 1 1 0 0 0 76158 1 0 0 0 0 77159 1 0 0 0 0 78160 1 0 0 0 0 78161 1 0 0 0 0 79 81 1 0 0 0 0 79162 1 0 0 0 0 80166 1 0 0 0 0 80167 1 0 0 0 0 81 82 1 0 0 0 0 81168 1 0 0 0 0 82 84 1 0 0 0 0 82172 1 0 0 0 0 83 84 1 0 0 0 0 83 85 1 6 0 0 0 83173 1 0 0 0 0 84174 1 0 0 0 0 85177 1 0 0 0 0 85178 1 0 0 0 0 85179 1 0 0 0 0 M END > 66561124 > 1 > 2430 > 26 > 16 > 15 > AAADcfB8PgAAAAAAAAAAAAAAAAAAAAAAAAA0aNGiAAAAAADAAAAAGgAACAAAD1SwgAMCCAAABgCIAiDSCAIAAAAgAAAACAFAAAgREBYAAQQiQAAF4AAPAAPK7PzPgAAAAAAAAADAAAYAADCAAAAAAAAAAA== > (2S,3R,4R,5R,6R)-6-[[(3S,4aR,6aR,6bS,7R,8S,8aS,9S,12aS,14aR,14bR)-7,9-dihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-8-[(2S)-2-methylbutanoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-carboxylic acid > (2S,3R,4R,5R,6R)-6-[[(3S,4aR,6aR,6bS,7R,8S,8aS,9S,12aS,14aR,14bR)-7,9-dihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-8-[(2S)-2-methyl-1-oxobutoxy]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-2-oxanyl]-3,4-dihydroxy-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanecarboxylic acid > (2S,3R,4R,5R,6R)-6-[[(3S,4aR,6aR,6bS,7R,8S,8aS,9S,12aS,14aR,14bR)-7,9-dihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-8-[(2S)-2-methylbutanoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid > (2S,3R,4R,5R,6R)-6-[[(3S,4aR,6aR,6bS,7R,8S,8aS,9S,12aS,14aR,14bR)-7,9-dihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-8-[(2S)-2-methylbutanoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid > (2S,3R,4R,5R,6R)-6-[[(3S,4aR,6aR,6bS,7R,8S,8aS,9S,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-8-[(2S)-2-methylbutanoyl]oxy-7,9-bis(oxidanyl)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]-5-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxane-2-carboxylic acid > (2S,3R,4R,5R,6R)-6-[[(3S,4aR,6aR,6bS,7R,8S,8aS,9S,12aS,14aR,14bR)-7,9-dihydroxy-4,4,6a,6b,11,11,14b-heptamethyl-8-[(2S)-2-methylbutanoyl]oxy-8a-methylol-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-methylol-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-carboxylic acid > InChI=1S/C59H96O26/c1-11-23(2)49(76)84-46-44(73)57(10)25(26-18-53(4,5)19-31(63)58(26,46)22-62)12-13-30-55(8)16-15-32(54(6,7)29(55)14-17-56(30,57)9)81-52-42(83-51-40(71)37(68)34(65)28(21-61)80-51)43(72)59(77,47(85-52)48(74)75)45-41(38(69)35(66)27(20-60)79-45)82-50-39(70)36(67)33(64)24(3)78-50/h12,23-24,26-47,50-52,60-73,77H,11,13-22H2,1-10H3,(H,74,75)/t23-,24-,26-,27+,28+,29-,30+,31-,32-,33-,34+,35-,36+,37-,38-,39+,40+,41+,42+,43+,44-,45+,46+,47+,50-,51-,52+,55-,56+,57-,58+,59+/m0/s1 > XUCJRMAULOGUFL-FZZIUYDHSA-N > 0.3 > 1220.61898316 > C59H96O26 > 1221.4 > CCC(C)C(=O)OC1C(C2(C(=CCC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)C(=O)O)(C6C(C(C(C(O6)CO)O)O)OC7C(C(C(C(O7)C)O)O)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)C)C9C1(C(CC(C9)(C)C)O)CO)C)O > CC[C@H](C)C(=O)O[C@@H]1[C@@H]([C@@]2(C(=CC[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@]([C@H](O5)C(=O)O)([C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O[C@H]7[C@@H]([C@@H]([C@H]([C@@H](O7)C)O)O)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C)C)[C@H]9[C@@]1([C@H](CC(C9)(C)C)O)CO)C)O > 432 > 1220.61898316 > 0 > 85 > 32 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 37 1 6 62 10 6 69 13 6 79 13 5 71 16 5 72 17 6 74 18 5 75 19 5 41 2 6 77 20 6 81 24 6 82 25 6 84 26 5 27 42 5 28 86 6 29 45 5 44 3 5 57 3 5 30 46 6 31 87 6 34 90 5 35 52 5 49 4 6 60 66 5 63 67 5 65 141 6 73 78 5 76 80 5 59 8 6 68 8 5 83 85 6 61 9 5 $$$$