@MOLECULE bromophycolide a 71 73 0 0 0 SMALL USER_CHARGES @ATOM 1 BR -5.5246 0.6758 1.3602 Br 1 UNL111111 -0.1900 2 BR -2.0214 -3.5957 -0.6829 Br 1 UNL111111 -0.1512 3 BR 5.9975 1.0589 0.6239 Br 1 UNL111111 -0.1653 4 O 0.5895 -1.5104 -1.2576 O.3 1 UNL111111 -0.5608 5 O 3.2086 0.2137 -0.0161 O.3 1 UNL111111 -0.4515 6 O -0.9475 4.2210 -2.0327 O.3 1 UNL111111 -0.4645 7 O 2.5068 0.7525 2.0549 O.2 1 UNL111111 -0.5006 8 C -2.6873 0.5059 0.6570 C.3 1 UNL111111 0.0757 9 C -4.0022 -0.2942 0.5141 C.3 1 UNL111111 -0.0520 10 C -1.5328 -0.3895 0.1104 C.3 1 UNL111111 -0.2889 11 C -2.7504 1.7637 -0.1891 C.2 1 UNL111111 -0.0921 12 C -4.3659 -0.5582 -0.9348 C.3 1 UNL111111 -0.2988 13 C -1.1247 -1.5192 1.0650 C.3 1 UNL111111 -0.2770 14 C -3.5120 1.8202 -1.2959 C.2 1 UNL111111 0.0344 15 C -4.4274 0.7278 -1.7612 C.3 1 UNL111111 -0.2762 16 C -2.4481 0.8127 2.1446 C.3 1 UNL111111 -0.4602 17 C -0.5792 -2.7843 0.4099 C.3 1 UNL111111 -0.1111 18 C 0.7350 -2.6149 -0.3955 C.3 1 UNL111111 0.3244 19 C -1.9541 2.9658 0.2572 C.3 1 UNL111111 -0.2614 20 C 1.8939 -2.3871 0.6104 C.3 1 UNL111111 -0.3517 21 C 3.2318 -2.1315 -0.0954 C.3 1 UNL111111 -0.3074 22 C -3.5563 3.0059 -2.2069 C.3 1 UNL111111 -0.4543 23 C 1.0238 -3.8177 -1.2996 C.3 1 UNL111111 -0.4915 24 C -0.5241 2.8743 -0.1634 C.ar 1 UNL111111 -0.0762 25 C 3.9481 -0.9021 0.4818 C.3 1 UNL111111 0.0945 26 C 5.3786 -0.7173 -0.0640 C.3 1 UNL111111 0.1117 27 C 0.3934 2.1657 0.5997 C.ar 1 UNL111111 -0.0582 28 C -0.0549 3.4593 -1.3551 C.ar 1 UNL111111 0.3102 29 C 1.6835 1.9226 0.1145 C.ar 1 UNL111111 -0.2161 30 C 6.3169 -1.7667 0.5019 C.3 1 UNL111111 -0.4807 31 C 5.4299 -0.6503 -1.5772 C.3 1 UNL111111 -0.4688 32 C 2.5014 0.9697 0.8709 C.2 1 UNL111111 0.6228 33 C 1.2520 3.2829 -1.8187 C.ar 1 UNL111111 -0.3233 34 C 2.1206 2.4813 -1.0847 C.ar 1 UNL111111 -0.0094 35 H -3.9518 -1.2395 1.0929 H 1 UNL111111 0.1510 36 H -0.6556 0.2398 -0.1214 H 1 UNL111111 0.1552 37 H -1.8055 -0.7829 -0.8884 H 1 UNL111111 0.1720 38 H -5.3252 -1.1081 -1.0140 H 1 UNL111111 0.1536 39 H -3.6148 -1.2468 -1.3804 H 1 UNL111111 0.1653 40 H -0.3643 -1.1296 1.7770 H 1 UNL111111 0.1503 41 H -1.9891 -1.7985 1.7062 H 1 UNL111111 0.1523 42 H -5.4697 1.1217 -1.7526 H 1 UNL111111 0.1586 43 H -4.2104 0.4893 -2.8244 H 1 UNL111111 0.1511 44 H -2.6958 -0.0405 2.7853 H 1 UNL111111 0.1474 45 H -1.4017 1.0704 2.3428 H 1 UNL111111 0.1493 46 H -3.0610 1.6541 2.4923 H 1 UNL111111 0.1598 47 H -0.4089 -3.5614 1.1902 H 1 UNL111111 0.1487 48 H -2.0302 3.0985 1.3584 H 1 UNL111111 0.1613 49 H -2.4133 3.9017 -0.1412 H 1 UNL111111 0.1664 50 H 1.9819 -3.2627 1.2790 H 1 UNL111111 0.1526 51 H 1.6396 -1.5367 1.2766 H 1 UNL111111 0.1675 52 H 3.8813 -3.0223 -0.0171 H 1 UNL111111 0.1496 53 H 3.0700 -1.9714 -1.1849 H 1 UNL111111 0.1726 54 H -2.7147 2.9708 -2.9161 H 1 UNL111111 0.1638 55 H -3.4740 3.9607 -1.6667 H 1 UNL111111 0.1603 56 H -4.4810 3.0580 -2.7942 H 1 UNL111111 0.1471 57 H 0.4165 -3.7648 -2.2170 H 1 UNL111111 0.1796 58 H 2.0646 -3.8358 -1.6381 H 1 UNL111111 0.1517 59 H 0.8183 -4.7713 -0.8067 H 1 UNL111111 0.1528 60 H 3.9445 -0.9165 1.5985 H 1 UNL111111 0.1675 61 H 1.1912 -0.7759 -1.0093 H 1 UNL111111 0.3328 62 H 0.1027 1.7616 1.5765 H 1 UNL111111 0.1766 63 H 7.3615 -1.5898 0.2065 H 1 UNL111111 0.1702 64 H 6.3005 -1.8030 1.6004 H 1 UNL111111 0.1668 65 H 6.0592 -2.7717 0.1409 H 1 UNL111111 0.1581 66 H 6.4254 -0.3764 -1.9527 H 1 UNL111111 0.1643 67 H 4.7167 0.0857 -1.9808 H 1 UNL111111 0.1745 68 H 5.1796 -1.6190 -2.0304 H 1 UNL111111 0.1565 69 H 1.5813 3.7485 -2.7412 H 1 UNL111111 0.1642 70 H 3.1348 2.2910 -1.4424 H 1 UNL111111 0.1668 71 H -0.5527 4.6325 -2.8406 H 1 UNL111111 0.3276 @BOND 1 54 22 1 2 71 6 1 3 43 15 1 4 56 22 1 5 69 33 1 6 57 23 1 7 22 55 1 8 22 14 1 9 6 28 1 10 68 31 1 11 67 31 1 12 66 31 1 13 33 28 ar 14 33 34 ar 15 15 42 1 16 15 14 1 17 15 12 1 18 58 23 1 19 31 26 1 20 70 34 1 21 39 12 1 22 28 24 ar 23 23 59 1 24 23 18 1 25 14 11 2 26 4 61 1 27 4 18 1 28 53 21 1 29 34 29 ar 30 38 12 1 31 12 9 1 32 37 10 1 33 2 17 1 34 18 17 1 35 18 20 1 36 11 19 1 37 11 8 1 38 24 19 1 39 24 27 ar 40 49 19 1 41 36 10 1 42 21 52 1 43 21 25 1 44 21 20 1 45 26 25 1 46 26 30 1 47 26 3 1 48 5 25 1 49 5 32 1 50 10 8 1 51 10 13 1 52 29 27 ar 53 29 32 1 54 65 30 1 55 63 30 1 56 19 48 1 57 17 13 1 58 17 47 1 59 25 60 1 60 30 64 1 61 9 8 1 62 9 35 1 63 9 1 1 64 27 62 1 65 20 51 1 66 20 50 1 67 8 16 1 68 32 7 2 69 13 41 1 70 13 40 1 71 16 45 1 72 16 46 1 73 16 44 1