Marvin 05211313582D 42 44 0 0 1 0 999 V2000 5.6041 -7.5939 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.0167 -8.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8417 -8.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 -7.5939 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 9.3167 -8.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1417 -8.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5542 -7.6351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9043 -7.6351 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.2542 -5.9439 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.8417 -5.2427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0167 -5.2427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6041 -5.9439 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.5542 -5.9439 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.1417 -5.2427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3167 -5.2427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9043 -5.9439 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 9.6055 -7.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6055 -6.3976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6667 -8.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4917 -8.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5117 -6.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5117 -7.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4917 -5.2427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6667 -5.2427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5542 -4.5413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6041 -9.0376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6041 -4.5413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5542 -9.0376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1270 -6.7347 0.0000 Gd 0 5 0 0 0 0 0 0 0 0 0 0 11.9850 -6.9854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6882 -6.5782 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3914 -6.9812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0946 -6.5741 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7978 -6.9772 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5011 -6.5701 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2042 -6.9731 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9073 -6.5659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6105 -6.9688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0928 -5.7599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7996 -7.7913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4992 -5.7558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2059 -7.7872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15 16 1 0 0 0 0 3 4 1 0 0 0 0 8 17 1 0 0 0 0 17 18 1 0 0 0 0 18 16 1 0 0 0 0 1 2 1 0 0 0 0 4 19 1 0 0 0 0 19 20 1 0 0 0 0 20 8 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 21 22 1 0 0 0 0 22 4 1 0 0 0 0 9 21 1 0 0 0 0 11 12 1 0 0 0 0 2 3 1 0 0 0 0 16 23 1 0 0 0 0 23 24 1 0 0 0 0 24 9 1 0 0 0 0 5 6 1 0 0 0 0 14 25 2 0 0 0 0 6 7 2 0 0 0 0 5 8 1 0 0 0 0 2 26 2 0 0 0 0 13 14 1 0 0 0 0 11 27 2 0 0 0 0 14 15 1 0 0 0 0 6 28 1 0 0 0 0 9 29 1 0 0 0 0 29 16 1 0 0 0 0 8 29 1 0 0 0 0 4 29 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 33 39 1 6 0 0 0 34 40 1 6 0 0 0 35 41 1 6 0 0 0 36 42 1 1 0 0 0 M CHG 8 1 -1 4 1 8 1 9 1 12 -1 13 -1 16 1 29 -1 M END