TITL SHELXL INS file, from DIRDIF output for S92 OpenBabel09160916343D 134131 0 0 0 0 0 0 0 0999 V2000 -2.1031 5.6178 12.5085 O 0 0 0 0 0 -2.1737 5.5812 13.3447 H 0 0 0 0 0 3.2196 6.1303 10.8257 N 0 0 0 0 0 1.8778 6.0206 11.2889 C 0 0 0 0 0 1.5897 5.9334 12.6380 C 0 0 0 0 0 2.2960 5.9585 13.2728 H 0 0 0 0 0 0.2528 5.8071 13.0814 C 0 0 0 0 0 0.0642 5.7648 14.0115 H 0 0 0 0 0 -0.7795 5.7450 12.1660 C 0 0 0 0 0 -0.4795 5.8411 10.8184 C 0 0 0 0 0 -1.1864 5.8066 10.1847 H 0 0 0 0 0 0.8241 5.9863 10.3666 C 0 0 0 0 0 1.0013 6.0621 9.4364 H 0 0 0 0 0 4.3151 6.1836 11.7695 C 0 0 0 0 0 5.1084 5.7681 11.3474 H 0 0 0 0 0 4.0746 5.6309 12.5549 H 0 0 0 0 0 3.5213 6.3074 9.4193 C 0 0 0 0 0 4.3580 6.8320 9.3498 H 0 0 0 0 0 2.7990 6.8527 9.0180 H 0 0 0 0 0 5.9893 7.9203 14.4056 Ru 0 0 0 0 0 7.1028 5.9360 13.5565 Cl 0 0 0 0 0 4.3050 6.4060 15.2209 Cl 0 0 0 0 0 4.8022 7.8971 12.3810 P 0 0 0 0 0 3.2295 8.8273 12.3504 C 0 0 0 0 0 2.5701 9.0692 13.5481 C 0 0 0 0 0 2.9842 8.8299 14.3690 H 0 0 0 0 0 1.3170 9.6546 13.5594 C 0 0 0 0 0 0.8699 9.8092 14.3833 H 0 0 0 0 0 0.7138 10.0164 12.3574 C 0 0 0 0 0 -0.1452 10.4223 12.3601 H 0 0 0 0 0 1.3641 9.7851 11.1632 C 0 0 0 0 0 0.9494 10.0290 10.3440 H 0 0 0 0 0 2.6242 9.1964 11.1531 C 0 0 0 0 0 3.0717 9.0463 10.3286 H 0 0 0 0 0 5.8340 8.5818 11.0377 C 0 0 0 0 0 5.7066 9.9039 10.5812 C 0 0 0 0 0 5.0058 10.4552 10.9089 H 0 0 0 0 0 6.6060 10.4029 9.6510 C 0 0 0 0 0 6.5077 11.2930 9.3337 H 0 0 0 0 0 7.6418 9.6223 9.1809 C 0 0 0 0 0 8.2488 9.9727 8.5396 H 0 0 0 0 0 7.7942 8.3326 9.6438 C 0 0 0 0 0 8.5104 7.7958 9.3252 H 0 0 0 0 0 6.9029 7.8171 10.5746 C 0 0 0 0 0 7.0230 6.9326 10.8998 H 0 0 0 0 0 7.9021 9.0531 14.4169 C 0 0 0 0 0 7.7541 8.3859 15.6735 C 0 0 0 0 0 8.4600 7.8279 15.9785 H 0 0 0 0 0 6.6145 8.5206 16.4712 C 0 0 0 0 0 6.5513 8.0596 17.2995 H 0 0 0 0 0 5.5384 9.3640 16.0256 C 0 0 0 0 0 5.6787 10.0544 14.8227 C 0 0 0 0 0 4.9879 10.6400 14.5356 H 0 0 0 0 0 6.8469 9.8939 14.0150 C 0 0 0 0 0 6.9125 10.3633 13.1917 H 0 0 0 0 0 9.1152 8.8044 13.5256 C 0 0 0 0 0 8.9360 7.9642 13.0139 H 0 0 0 0 0 9.3555 9.9047 12.5059 C 0 0 0 0 0 8.5366 10.0559 11.9893 H 0 0 0 0 0 10.0787 9.6372 11.9010 H 0 0 0 0 0 9.6064 10.7308 12.9696 H 0 0 0 0 0 10.3946 8.5727 14.3366 C 0 0 0 0 0 10.2419 7.8592 14.9908 H 0 0 0 0 0 10.6387 9.3983 14.8047 H 0 0 0 0 0 11.1214 8.3124 13.7329 H 0 0 0 0 0 4.2992 9.4988 16.8762 C 0 0 0 0 0 4.3941 8.9481 17.6813 H 0 0 0 0 0 3.5183 9.1991 16.3656 H 0 0 0 0 0 4.1805 10.4368 17.1342 H 0 0 0 0 0 3.6404 5.1327 6.0570 Ru 0 0 0 0 0 3.7217 4.7561 8.3810 P 0 0 0 0 0 4.8883 7.1328 6.5788 Cl 0 0 0 0 0 1.6116 6.3594 6.5390 Cl 0 0 0 0 0 2.4818 3.5980 9.0685 C 0 0 0 0 0 2.5388 3.1779 10.3878 C 0 0 0 0 0 3.2791 3.4228 10.9304 H 0 0 0 0 0 1.5137 2.3967 10.9231 C 0 0 0 0 0 1.5504 2.1207 11.8314 H 0 0 0 0 0 0.4439 2.0249 10.1285 C 0 0 0 0 0 -0.2520 1.4901 10.4923 H 0 0 0 0 0 0.3833 2.4259 8.8149 C 0 0 0 0 0 -0.3460 2.1526 8.2709 H 0 0 0 0 0 1.3805 3.2269 8.2794 C 0 0 0 0 0 1.3189 3.5246 7.3793 H 0 0 0 0 0 5.3327 4.0734 8.9150 C 0 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6.5530 3.3191 5.8174 C 0 0 0 0 0 6.4473 2.5403 6.4028 H 0 0 0 0 0 6.9508 4.0573 6.3246 H 0 0 0 0 0 7.1379 3.0862 5.0663 H 0 0 0 0 0 16.9560 1.6409 23.6091 C 0 0 0 0 0 16.1300 1.8027 23.0692 H 0 0 0 0 0 16.6045 2.0129 25.2807 Cl 0 0 0 0 0 17.4155 -0.0772 23.4362 Cl 0 0 0 0 0 18.2347 2.6606 22.9825 Cl 0 0 0 0 0 -4.1002 7.8812 14.4768 C 0 0 0 0 0 -3.9711 6.8896 14.4697 H 0 0 0 0 0 -2.5331 8.6347 14.4586 Cl 0 0 0 0 0 -5.0241 8.3035 15.9014 Cl 0 0 0 0 0 -4.9918 8.3310 13.0296 Cl 0 0 0 0 0 12.4906 1.0640 22.9720 C 0 0 0 0 0 12.5596 2.0542 22.8508 H 0 0 0 0 0 11.0481 0.4972 22.1955 Cl 0 0 0 0 0 12.4718 0.6990 24.6723 Cl 0 0 0 0 0 13.8614 0.2979 22.2063 Cl 0 0 0 0 0 9 1 1 0 0 0 1 2 1 0 0 0 17 3 1 0 0 0 3 4 1 0 0 0 3 14 1 0 0 0 12 4 2 0 0 0 4 5 1 0 0 0 5 7 2 0 0 0 5 6 1 0 0 0 9 7 1 0 0 0 7 8 1 0 0 0 10 9 2 0 0 0 11 10 1 0 0 0 12 10 1 0 0 0 13 12 1 0 0 0 15 14 1 0 0 0 14 23 1 0 0 0 14 16 1 0 0 0 71 17 1 0 0 0 19 17 1 0 0 0 18 17 1 0 0 0 54 20 1 0 0 0 35 23 1 0 0 0 24 23 1 0 0 0 33 24 2 0 0 0 24 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