ACADOS From CSD data. Not using bond type 'Any'. No disordered atoms. 37 39 0 0 0 0 0 0 0 0999 V2000 3.7416 1.2168 -0.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7813 4.7095 -2.6975 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8040 5.4093 -6.5695 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1669 3.3099 -2.6243 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5604 1.1701 0.5744 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4104 2.4386 -2.6966 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3260 5.8228 -4.4614 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3474 3.2216 -3.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4617 6.8946 -4.4094 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3991 2.7362 -5.0182 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2819 7.1821 -5.5812 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3359 6.7471 -2.4619 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9234 4.7914 -7.4386 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0972 2.0553 0.7677 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3065 0.8196 0.3883 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2326 3.1522 -3.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0356 3.3540 -5.6385 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9248 1.9544 -5.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4624 3.4296 -5.5238 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3297 8.7380 -4.7914 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5636 8.2337 -6.3886 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4651 6.9980 -1.4295 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0041 5.0310 -1.7119 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6498 3.2153 -3.4325 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7018 2.3957 -1.4648 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1026 1.5509 -3.0443 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1122 0.5170 1.1736 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0813 6.4029 -6.6515 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5550 5.0436 -5.5247 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1586 8.1870 -5.6782 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4642 7.4721 -3.1272 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8776 5.7321 -3.1996 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8635 4.5960 -3.5984 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3765 3.2279 -1.4560 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0297 2.3314 -1.3960 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9290 0.3997 -1.0095 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1223 2.7639 -5.6244 O 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 2 4 1 0 0 0 0 3 13 1 0 0 0 0 4 6 1 0 0 0 0 5 14 1 0 0 0 0 6 8 1 0 0 0 0 7 9 4 0 0 0 0 8 10 1 0 0 0 0 9 11 4 0 0 0 0 10 17 1 0 0 0 0 11 28 4 0 0 0 0 12 22 1 0 0 0 0 15 5 1 0 0 0 0 16 8 1 0 0 0 0 18 10 1 0 0 0 0 19 37 1 0 0 0 0 20 30 1 0 0 0 0 21 30 1 0 0 0 0 23 2 1 0 0 0 0 24 4 1 0 0 0 0 25 34 1 0 0 0 0 26 6 1 0 0 0 0 27 5 1 0 0 0 0 28 3 4 0 0 0 0 29 3 4 0 0 0 0 30 11 1 0 0 0 0 31 9 1 0 0 0 0 32 2 1 0 0 0 0 33 2 1 0 0 0 0 34 4 1 0 0 0 0 35 1 1 0 0 0 0 36 1 2 0 0 0 0 37 10 1 0 0 0 0 6 35 1 0 0 0 0 7 29 4 0 0 0 0 7 32 1 0 0 0 0 8 33 1 0 0 0 0 12 31 2 0 0 0 0 12 32 1 0 0 0 0 M END $$$$ AFCYPT From CSD data. Using bond type 'Any'. No disordered atoms. 38 39 0 0 0 0 0 0 0 0999 V2000 6.3324 5.5908 1.6294 Pt 0 3 0 0 0 0 0 0 0 0 0 0 7.0778 7.7588 1.7963 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.9039 1.3972 1.2871 Cl 0 5 0 0 0 0 0 0 0 0 0 0 5.5528 3.6638 1.7179 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3845 6.1715 2.0603 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0839 3.8706 1.6991 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5829 4.9374 2.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2672 4.0763 1.3628 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1259 4.4855 1.9249 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7666 4.4596 3.0257 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0872 4.9800 0.9367 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3634 4.9551 -0.2325 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4738 5.2854 -1.2375 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6562 4.4336 -0.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6094 4.0731 0.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2864 3.7251 2.3778 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5866 3.7760 1.7018 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2204 2.2480 2.9326 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7976 1.3411 1.9986 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6673 2.0506 3.4257 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9556 2.6656 4.5848 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4102 2.7061 2.2244 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9528 1.9540 1.0606 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9239 1.4304 0.2245 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2546 2.7009 1.8224 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5723 3.5942 0.8308 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3972 6.6275 1.6951 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0082 2.8151 1.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9837 3.6670 0.9246 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4277 5.6303 -0.9849 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6008 5.4953 -2.1842 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2159 4.5603 -1.7353 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6090 3.8332 -0.1005 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3157 4.5603 3.1222 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1202 0.8207 1.2931 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7292 1.8491 3.8592 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1487 1.2569 3.0284 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2241 3.0852 0.6968 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 5 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 11 1 1 0 0 0 0 12 11 2 0 0 0 0 13 12 1 0 0 0 0 14 12 1 0 0 0 0 15 8 1 0 0 0 0 16 8 1 0 0 0 0 17 16 1 0 0 0 0 18 16 1 0 0 0 0 19 18 1 0 0 0 0 20 18 1 0 0 0 0 21 20 1 0 0 0 0 22 17 1 0 0 0 0 23 22 1 0 0 0 0 24 23 1 0 0 0 0 25 4 1 0 0 0 0 26 4 1 0 0 0 0 27 5 1 0 0 0 0 28 6 1 0 0 0 0 29 6 1 0 0 0 0 30 13 1 0 0 0 0 31 13 1 0 0 0 0 32 14 1 0 0 0 0 33 15 1 0 0 0 0 34 16 1 0 0 0 0 35 19 1 0 0 0 0 36 18 1 0 0 0 0 37 20 1 0 0 0 0 38 23 1 0 0 0 0 6 7 1 0 0 0 0 9 11 1 0 0 0 0 14 15 2 0 0 0 0 20 22 1 0 0 0 0 M CHG 2 1 1 3 -1 M END $$$$