@MOLECULE 76970352 30 30 1 SMALL USER_CHARGES @ATOM 1 O1 -0.3747 0.0573 -0.6390 O.3 1 noname -0.3415 2 O2 1.8901 0.8543 -3.1281 O.3 1 noname -0.3676 3 O3 1.6791 2.7790 -1.5698 O.3 1 noname -0.3873 4 O4 -0.7096 -1.1127 -2.6169 O.3 1 noname -0.3656 5 O5 -0.4543 1.1440 1.9575 O.3 1 noname -0.3934 6 O6 3.4660 -1.2400 -5.6645 O.3 1 noname -0.3821 7 C1 0.4838 2.0124 -1.5590 C.3 1 noname 0.1137 8 C2 0.5611 0.9359 -2.6346 C.3 1 noname 0.1367 9 C3 0.4280 1.1752 -0.2844 C.3 1 noname 0.1125 10 C4 0.2217 -0.3456 -1.8680 C.3 1 noname 0.1841 11 C5 -0.2683 1.9732 0.8198 C.3 1 noname 0.0722 12 C6 1.9621 -0.1489 -4.1305 C.3 1 noname 0.0709 13 C7 3.3940 -0.2368 -4.6621 C.3 1 noname 0.0698 14 C8 4.7950 -1.3216 -6.1580 C.3 1 noname 0.0357 15 H1 -0.4386 2.5901 -1.6187 H 1 noname 0.0658 16 H2 -0.1271 1.1432 -3.4541 H 1 noname 0.0685 17 H3 1.4318 0.8343 -0.0308 H 1 noname 0.0657 18 H4 1.1485 -0.8753 -1.6479 H 1 noname 0.0949 19 H5 -1.2371 2.3207 0.4612 H 1 noname 0.0591 20 H6 0.3474 2.8306 1.0919 H 1 noname 0.0591 21 H7 1.6294 3.4713 -0.8780 H 1 noname 0.2106 22 H8 1.2862 0.1044 -4.9472 H 1 noname 0.0590 23 H9 1.6731 -1.1097 -3.7044 H 1 noname 0.0590 24 H10 -0.9671 -1.9064 -2.1030 H 1 noname 0.2134 25 H11 3.6830 0.7239 -5.0882 H 1 noname 0.0590 26 H12 4.0699 -0.4901 -3.8454 H 1 noname 0.0590 27 H13 -0.9002 1.6552 2.6648 H 1 noname 0.2101 28 H14 4.8503 -2.0917 -6.9274 H 1 noname 0.0529 29 H15 5.0840 -0.3609 -6.5841 H 1 noname 0.0529 30 H16 5.4709 -1.5749 -5.3412 H 1 noname 0.0529 @BOND 1 1 9 1 2 1 10 1 3 8 2 1 4 2 12 1 5 7 3 1 6 3 21 1 7 10 4 1 8 4 24 1 9 5 11 1 10 5 27 1 11 6 13 1 12 6 14 1 13 7 8 1 14 7 9 1 15 7 15 1 16 8 10 1 17 8 16 1 18 9 11 1 19 9 17 1 20 10 18 1 21 11 19 1 22 11 20 1 23 12 13 1 24 12 22 1 25 12 23 1 26 13 25 1 27 13 26 1 28 14 28 1 29 14 29 1 30 14 30 1 @SUBSTRUCTURE 1 noname 1