^
$RXN 1 1 0 $MOL VOM 06231902382D 1 1.00000 0.00000 0 12 13 0 0 0 999 V2000 -5.8136 3.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6976 1.8364 0.0000 L 0 0 0 0 0 0 0 0 0 0 0 0 -4.9476 1.5150 0.0000 L 0 0 0 0 0 0 0 0 0 0 0 0 -5.8136 1.0149 0.0000 L 0 0 0 0 0 0 0 0 0 0 0 0 -6.6797 1.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6797 2.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0816 3.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0816 4.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2155 4.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9924 -3.9493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9924 -4.9493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2156 2.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 2 7 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 9 10 1 0 0 0 10 11 2 0 0 0 11 12 1 0 0 0 12 7 2 0 0 0 M ALS 2 3 F V I Xe M ALS 3 3 F V I Xe M ALS 4 3 F V I Xe M END $MOL VOM 06231902382D 1 1.00000 0.00000 0 104109 0 0 0 999 V2000 -3.4750 0.0500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4464 -3.5679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3750 0.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3750 0.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8750 1.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3750 1.9410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9464 -2.7018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 -1.7000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7750 3.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -2.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6232 -4.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6232 -5.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8500 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7483 7.1071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6340 -2.8500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 1.4250 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 0.4750 -0.7250 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 3.2000 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 2.2036 -0.5286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2910 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5767 2.9000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.2339 -2.9214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0553 -0.7786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4679 0.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8750 -3.4698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3750 -2.6038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 4.5391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3393 3.6731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5036 0.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0999 -3.4214 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -3.7071 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5731 -0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5214 1.7929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4803 -1.8373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2983 -0.1730 0.0000 L 0 0 0 0 0 0 0 0 0 0 0 0 -1.4823 4.7770 0.0000 L 0 0 0 0 0 0 0 0 0 0 0 0 -0.5163 5.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7925 0.5517 0.0000 L 0 0 0 0 0 0 0 0 0 0 0 0 1.7584 0.8105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0172 1.7764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9832 2.0353 0.0000 Xe 0 0 0 0 0 0 0 0 0 0 0 0 1.2588 2.3909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5517 3.0980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8071 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1000 -1.7679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5660 1.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 1.1250 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.3697 -2.9464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1660 2.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 3.1250 0.0000 L 0 0 0 0 0 0 0 0 0 0 0 0 1.5660 2.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0838 1.2911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 1.4500 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.4571 0.7429 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.2420 3.0012 0.0000 Xe 0 0 0 0 0 0 0 0 0 0 0 0 4.2079 3.2600 0.0000 Th 0 0 0 0 0 0 0 0 0 0 0 0 4.9150 2.5529 0.0000 Ac 0 0 0 0 0 0 0 0 0 0 0 0 4.6562 1.5870 0.0000 L 0 0 0 0 0 0 0 0 0 0 0 0 3.6903 1.3282 0.0000 U 0 0 0 0 0 0 0 0 0 0 0 0 -0.5628 -1.6645 0.0000 L 0 0 0 0 0 0 0 0 0 0 0 0 0.3032 -2.1645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3032 -3.1645 0.0000 Gd 0 0 0 0 0 0 0 0 0 0 0 0 -0.5628 -3.6645 0.0000 Gd 0 0 0 0 0 0 0 0 0 0 0 0 -1.4288 -3.1645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4288 -2.1645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0848 6.3761 0.0000 Os 0 0 0 0 0 0 0 0 0 0 0 0 -4.0848 5.3761 0.0000 U 0 0 0 0 0 0 0 0 0 0 0 0 -4.9508 4.8761 0.0000 Os 0 0 0 0 0 0 0 0 0 0 0 0 -5.8169 5.3761 0.0000 U 0 0 0 0 0 0 0 0 0 0 0 0 -5.8168 6.3761 0.0000 No 0 0 0 0 0 0 0 0 0 0 0 0 -0.6294 -3.0525 0.0000 No 0 0 0 0 0 0 0 0 0 0 0 0 -4.8889 2.9304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6301 3.8963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8549 3.1892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5960 4.1551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3959 3.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2913 -1.4417 0.0000 L 0 0 0 0 0 0 0 0 0 0 0 0 -3.2774 -1.8409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4369 -6.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9180 3.4786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3991 3.2030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6301 3.8963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4823 1.3536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3750 0.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 1.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 1.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6041 4.4681 0.0000 L 0 0 0 0 0 0 0 0 0 0 0 0 1.5177 4.8748 0.0000 U 0 0 0 0 0 0 0 0 0 0 0 0 2.1869 4.1316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6869 3.2656 0.0000 U 0 0 0 0 0 0 0 0 0 0 0 0 0.7087 3.4736 0.0000 U 0 0 0 0 0 0 0 0 0 0 0 0 1.9658 3.7927 0.0000 U 0 0 0 0 0 0 0 0 0 0 0 0 2.8581 2.9761 0.0000 L 0 0 0 0 0 0 0 0 0 0 0 0 -1.5918 -0.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7258 0.1761 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.5402 6.3761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5402 5.3761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3258 4.8761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4421 1.7332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4332 -0.6596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2458 3.4475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5757 -1.6954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1190 -0.2597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8589 2.3321 0.0000 L 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 7 1 0 0 0 7 2 2 0 0 0 10 11 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 14 15 1 0 0 0 15 10 2 0 0 0 19 20 1 0 0 0 20 21 2 0 0 0 22 23 1 0 0 0 23 19 2 0 0 0 7 24 1 0 0 0 24 25 1 0 0 0 25 26 2 0 0 0 26 27 1 0 0 0 27 28 2 0 0 0 28 29 1 0 0 0 29 24 2 0 0 0 19 23 1 0 0 0 23 22 1 0 0 0 22 30 1 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 13 33 1 0 0 0 33 34 1 0 0 0 34 35 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 37 38 1 0 0 0 38 39 1 0 0 0 39 40 1 0 0 0 40 41 1 0 0 0 16 42 1 0 0 0 42 43 1 0 0 0 44 45 1 0 0 0 45 14 1 0 0 0 46 47 1 0 0 0 47 48 2 0 0 0 48 49 1 0 0 0 49 50 2 0 0 0 50 51 1 0 0 0 51 46 2 0 0 0 29 52 1 0 0 0 53 54 1 0 0 0 41 55 1 0 0 0 55 56 2 0 0 0 56 57 1 0 0 0 57 58 2 0 0 0 58 59 1 0 0 0 59 41 2 0 0 0 36 60 1 0 0 0 60 61 1 0 0 0 61 62 2 0 0 0 62 63 1 0 0 0 63 64 2 0 0 0 64 65 1 0 0 0 65 60 2 0 0 0 66 67 1 0 0 0 67 68 2 0 0 0 68 69 1 0 0 0 69 70 2 0 0 0 70 71 1 0 0 0 71 66 2 0 0 0 72 73 1 0 0 0 72 74 1 0 0 0 74 75 1 0 0 0 75 73 1 0 0 0 76 77 1 0 0 0 77 78 2 0 0 0 78 79 1 0 0 0 79 80 2 0 0 0 80 76 1 0 0 0 68 75 1 0 0 0 75 81 1 0 0 0 73 82 1 0 0 0 3 84 1 0 0 0 84 85 1 0 0 0 85 86 1 0 0 0 87 88 1 0 0 0 88 89 2 0 0 0 89 90 1 0 0 0 90 91 2 0 0 0 91 87 1 0 0 0 93 94 1 0 0 0 94 95 2 0 0 0 95 96 1 0 0 0 96 97 2 0 0 0 97 98 1 0 0 0 98 93 2 0 0 0 99100 2 0 0 0 100101 1 0 0 0 101102 2 0 0 0 102103 1 0 0 0 46104 1 0 0 0 9 83 1 0 0 0 80 9 1 0 0 0 13 30 1 0 0 0 33 95 1 0 0 0 103 34 2 0 0 0 93 34 1 0 0 0 34 99 1 0 0 0 89 22 2 0 0 0 21 89 1 0 0 0 82101 1 0 0 0 M CHG 4 3 -1 6 1 13 -1 14 1 M RGP 5 16 24 16 32 17 29 17 30 18 6 M ALS 35 1 F Ce M ALS 36 2 F Ce Gd M ALS 38 5 F N Ce Gd Tl Cn M ALS 50 3 F V I Xe M ALS 58 3 F V I Xe M ALS 60 3 F Ce Gd Cn M ALS 77 8 F N Ce Gd Os Tl Cm Bk Cn M ALS 87 5 F H O Ru Gd U M ALS 93 6 F H O Ru Gd U Np M ALS 104 3 F V I Xe M END
