OpenBabel01162216123D 22 27 0 0 0 0 0 0 0 0999 V2000 -4.8643 2.5094 0.8196 Mn 0 0 2 0 0 0 0 0 0 0 0 0 -2.6329 2.5876 -0.6338 Mn 0 0 0 0 0 0 0 0 0 0 0 0 -4.4291 1.2087 -1.4168 Mn 0 0 0 0 0 0 0 0 0 0 0 0 -5.1523 0.5935 0.2778 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3955 3.0268 -1.0503 O 0 0 1 0 0 0 0 0 0 0 0 0 -2.5469 0.8704 -1.4524 O 0 0 2 0 0 0 0 0 0 0 0 0 -2.9241 2.1055 1.1338 O 0 0 2 0 0 0 0 0 0 0 0 0 -2.9743 -0.1360 0.4775 Ca 0 0 0 0 0 0 0 0 0 0 0 0 -7.0772 0.9546 0.1597 Mn 0 0 2 0 0 0 0 0 0 0 0 0 -6.7081 2.8036 0.4830 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8120 -0.8416 0.2960 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7649 -1.6432 0.8754 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6834 -1.3375 2.3070 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5609 -1.7250 2.0606 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2733 0.6547 2.0585 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4033 -0.3233 2.1435 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9682 1.3274 0.0210 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1958 1.8825 0.8091 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9444 0.4617 1.2316 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2878 -0.1547 0.7796 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8841 -0.6718 3.0124 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4090 0.4573 0.1922 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 6 0 0 0 1 10 1 0 0 0 0 4 3 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 19 1 0 0 0 0 5 2 1 1 0 0 0 5 3 1 0 0 0 0 6 2 1 1 0 0 0 6 3 1 0 0 0 0 7 1 1 6 0 0 0 7 2 1 0 0 0 0 7 8 1 0 0 0 0 8 6 1 0 0 0 0 8 11 1 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 15 1 1 0 0 0 9 17 1 0 0 0 0 11 12 1 0 0 0 0 11 20 1 0 0 0 0 13 14 1 0 0 0 0 13 21 1 0 0 0 0 15 16 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 M END $$$$ OpenBabel01162216123D 21 26 0 0 0 0 0 0 0 0999 V2000 -4.7592 2.5535 0.8237 Mn 0 0 2 0 0 0 0 0 0 0 0 0 -2.5561 2.6076 -0.6776 Mn 0 0 0 0 0 0 0 0 0 0 0 0 -4.4797 1.4230 -1.5639 Mn 0 0 0 0 0 0 0 0 0 0 0 0 -5.0823 0.7581 0.0780 O 0 1 1 0 0 0 0 0 0 0 0 0 -4.2952 3.1962 -1.0439 O 0 3 1 0 0 0 0 0 0 0 0 0 -2.6200 0.9005 -1.5334 O 0 3 2 0 0 0 0 0 0 0 0 0 -2.8359 2.1172 1.0959 O 0 3 2 0 0 0 0 0 0 0 0 0 -3.0475 -0.1097 0.4881 Ca 0 7 0 0 0 0 0 0 0 0 0 0 -6.9978 0.9171 0.1244 Mn 0 0 2 0 0 0 0 0 0 0 0 0 -6.6511 2.7918 0.5241 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9390 -0.9791 0.4135 O 0 3 0 0 0 0 0 0 0 0 0 0 -0.9348 -1.6761 1.1168 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9349 -1.1697 2.3040 O 0 3 0 0 0 0 0 0 0 0 0 0 -4.7243 -1.6511 1.9496 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9788 0.5098 2.0097 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1521 -0.4641 2.0555 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9132 1.1610 0.1796 O 0 3 0 0 0 0 0 0 0 0 0 0 -9.0927 1.6969 0.9929 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3631 -0.2589 0.7743 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3146 -0.4404 2.8558 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2761 0.2629 0.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 6 0 0 0 1 10 1 0 0 0 0 4 1 1 1 0 0 0 4 3 1 0 0 0 0 4 8 1 0 0 0 0 5 2 1 1 0 0 0 5 3 1 0 0 0 0 6 2 1 1 0 0 0 6 3 1 0 0 0 0 7 1 1 6 0 0 0 7 2 1 0 0 0 0 7 8 1 0 0 0 0 8 6 1 0 0 0 0 8 11 1 0 0 0 0 8 13 1 0 0 0 0 9 4 1 6 0 0 0 9 10 1 0 0 0 0 9 15 1 0 0 0 0 9 17 1 0 0 0 0 11 12 1 0 0 0 0 11 19 1 0 0 0 0 13 14 1 0 0 0 0 13 20 1 0 0 0 0 15 16 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 M CHG 8 4 3 5 1 6 1 7 1 8 -3 11 1 13 1 17 1 M END $$$$ OpenBabel01162216123D 23 28 0 0 0 0 0 0 0 0999 V2000 -4.7467 2.5811 0.8657 Mn 0 0 2 0 0 0 0 0 0 0 0 0 -2.5617 2.6466 -0.5814 Mn 0 0 0 0 0 0 0 0 0 0 0 0 -4.5516 1.4899 -1.8299 Mn 0 0 1 0 0 0 0 0 0 0 0 0 -5.0222 0.9001 -0.0350 O 0 2 1 0 0 0 0 0 0 0 0 0 -4.2590 3.2184 -0.9475 O 0 3 1 0 0 0 0 0 0 0 0 0 -2.6390 1.0143 -1.4711 O 0 3 2 0 0 0 0 0 0 0 0 0 -2.8454 2.1252 1.1726 O 0 3 2 0 0 0 0 0 0 0 0 0 -3.0835 -0.0613 0.4871 Ca 0 7 0 0 0 0 0 0 0 0 0 0 -6.9377 0.9548 0.1209 Mn 0 0 2 0 0 0 0 0 0 0 0 0 -6.6353 2.8269 0.5486 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9965 -0.9825 0.4449 O 0 3 0 0 0 0 0 0 0 0 0 0 -1.0134 -1.6642 1.1629 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0571 -1.1651 2.2304 O 0 3 0 0 0 0 0 0 0 0 0 0 -4.8749 -1.5697 1.8465 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8018 0.5124 1.9931 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1578 -0.4092 2.0598 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8564 1.1135 0.2832 O 0 3 0 0 0 0 0 0 0 0 0 0 -9.0155 1.6093 1.1256 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4055 -0.2689 0.7941 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3849 -0.4494 2.8306 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1724 0.1935 0.4691 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8587 -0.2502 -2.6074 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5254 -0.9022 -1.9406 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 6 0 0 0 1 10 1 0 0 0 0 3 6 1 1 0 0 0 3 22 1 0 0 0 0 4 1 1 1 0 0 0 4 3 1 0 0 0 0 4 8 1 0 0 0 0 5 2 1 0 0 0 0 5 3 1 6 0 0 0 6 2 1 1 0 0 0 7 1 1 6 0 0 0 7 2 1 0 0 0 0 7 8 1 0 0 0 0 8 6 1 0 0 0 0 8 11 1 0 0 0 0 8 13 1 0 0 0 0 9 4 1 6 0 0 0 9 10 1 0 0 0 0 9 15 1 0 0 0 0 9 17 1 0 0 0 0 11 12 1 0 0 0 0 11 19 1 0 0 0 0 13 14 1 0 0 0 0 13 20 1 0 0 0 0 15 16 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 22 23 1 0 0 0 0 M CHG 8 4 2 5 1 6 1 7 1 8 -3 11 1 13 1 17 1 M END $$$$ OpenBabel01202211223D 22 28 0 0 0 0 0 0 0 0999 V2000 -4.8360 2.4457 0.5950 Mn 0 0 2 0 0 0 0 0 0 0 0 0 -2.4854 2.4328 -0.5459 Mn 0 0 0 0 0 0 0 0 0 0 0 0 -4.5272 1.4367 -1.8126 Mn 0 0 1 0 0 0 0 0 0 0 0 0 -4.9223 0.7017 -0.0934 O 0 2 1 0 0 0 0 0 0 0 0 0 -4.0535 3.1235 -1.0432 O 0 3 1 0 0 0 0 0 0 0 0 0 -2.6247 0.8136 -1.4885 O 0 3 2 0 0 0 0 0 0 0 0 0 -2.9670 2.0070 1.2040 O 0 3 2 0 0 0 0 0 0 0 0 0 -3.0347 -0.1999 0.5264 Ca 0 7 0 0 0 0 0 0 0 0 0 0 -6.8128 0.5469 0.0448 Mn 0 0 2 0 0 0 0 0 0 0 0 0 -6.5813 2.4045 -0.3647 O 0 0 2 0 0 0 0 0 0 0 0 0 -0.9142 -1.0409 0.5813 O 0 3 0 0 0 0 0 0 0 0 0 0 -0.9128 -1.6553 1.3578 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0463 -1.3046 2.2480 O 0 3 0 0 0 0 0 0 0 0 0 0 -4.9039 -1.6233 1.8694 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7040 0.9462 1.9293 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8885 0.0837 2.3791 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7417 0.5882 0.1310 O 0 3 0 0 0 0 0 0 0 0 0 0 -8.9673 1.4112 0.6337 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3539 -0.2766 0.8686 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3040 -0.5899 2.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9851 -0.1536 0.7402 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3101 2.2682 -1.6803 O 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 6 0 0 0 3 6 1 6 0 0 0 3 22 1 0 0 0 0 4 1 1 1 0 0 0 4 3 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 5 2 1 0 0 0 0 5 3 1 6 0 0 0 6 2 1 1 0 0 0 7 1 1 6 0 0 0 7 2 1 0 0 0 0 7 8 1 0 0 0 0 8 6 1 0 0 0 0 8 11 1 0 0 0 0 8 13 1 0 0 0 0 9 10 1 6 0 0 0 9 15 1 0 0 0 0 9 17 1 0 0 0 0 10 1 1 1 0 0 0 10 22 1 0 0 0 0 11 12 1 0 0 0 0 11 19 1 0 0 0 0 13 14 1 0 0 0 0 13 20 1 0 0 0 0 15 16 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 M CHG 8 4 2 5 1 6 1 7 1 8 -3 11 1 13 1 17 1 M END $$$$