@MOLECULE 71586960 33 32 1 SMALL USER_CHARGES @ATOM 1 O1 -1.2397 3.1970 0.2222 O.3 1 noname -0.2078 2 O2 -1.5002 5.4093 0.2802 O.2 1 noname -0.2554 3 C1 2.6033 -0.5829 0.9686 C.3 1 noname -0.0498 4 C2 3.8816 -0.0307 0.3088 C.3 1 noname -0.0532 5 C3 1.5467 -0.7615 -0.1333 C.3 1 noname -0.0350 6 C4 4.9816 0.1059 1.3698 C.3 1 noname -0.0561 7 C5 0.2889 -1.1662 0.4695 C.2 1 noname -0.0876 8 C6 6.2584 0.6325 0.7090 C.3 1 noname -0.0654 9 C7 -0.8368 -0.4307 0.4197 C.2 1 noname -0.0869 10 C8 -0.9377 0.8545 -0.2583 C.3 1 noname -0.0108 11 C9 -1.2621 1.8907 0.7944 C.3 1 noname 0.0598 12 C10 -1.5247 4.3379 0.9176 C.2 1 noname 0.1384 13 C11 -1.8805 4.4330 2.3484 C.3 1 noname 0.0220 14 H1 2.2464 0.1322 1.7312 H 1 noname 0.0270 15 H2 2.7960 -1.5591 1.4436 H 1 noname 0.0270 16 H3 3.6823 0.9499 -0.1401 H 1 noname 0.0266 17 H4 4.1968 -0.7184 -0.4834 H 1 noname 0.0266 18 H5 1.5469 0.1802 -0.6449 H 1 noname 0.0309 19 H6 1.8340 -1.5082 -0.8826 H 1 noname 0.0309 20 H7 4.6465 0.7995 2.1475 H 1 noname 0.0264 21 H8 5.1649 -0.8747 1.8170 H 1 noname 0.0264 22 H9 0.2483 -2.0482 0.9467 H 1 noname 0.0572 23 H10 7.0355 0.7215 1.4654 H 1 noname 0.0230 24 H11 6.0689 1.6125 0.2636 H 1 noname 0.0230 25 H12 6.5846 -0.0615 -0.0696 H 1 noname 0.0230 26 H13 -1.6549 -0.8087 0.8762 H 1 noname 0.0573 27 H14 -1.7080 0.8065 -1.0355 H 1 noname 0.0333 28 H15 -0.0458 1.2641 -0.7002 H 1 noname 0.0333 29 H16 -2.2510 1.6918 1.2074 H 1 noname 0.0576 30 H17 -0.5263 1.8728 1.5984 H 1 noname 0.0576 31 H18 -2.7873 3.8580 2.5363 H 1 noname 0.0336 32 H19 -2.0511 5.4769 2.6117 H 1 noname 0.0336 33 H20 -1.0657 4.0343 2.9527 H 1 noname 0.0336 @BOND 1 1 11 1 2 1 12 1 3 2 12 2 4 3 4 1 5 3 5 1 6 3 14 1 7 3 15 1 8 4 6 1 9 4 16 1 10 4 17 1 11 5 7 1 12 5 18 1 13 5 19 1 14 6 8 1 15 6 20 1 16 6 21 1 17 7 9 2 18 7 22 1 19 8 23 1 20 8 24 1 21 8 25 1 22 9 10 1 23 9 26 1 24 10 11 1 25 10 27 1 26 10 28 1 27 11 29 1 28 11 30 1 29 12 13 1 30 13 31 1 31 13 32 1 32 13 33 1 @SUBSTRUCTURE 1 noname 1