@MOLECULE 57358374 32 33 1 SMALL USER_CHARGES @ATOM 1 O1 -1.3865 -1.4054 0.4380 O.3 1 noname -0.3426 2 O2 -0.3715 -1.7128 -1.5808 O.3 1 noname -0.3426 3 O3 -2.2478 3.9252 -0.3380 O.3 1 noname -0.2670 4 O4 0.4622 4.4950 -0.2773 O.3 1 noname -0.2759 5 C1 -1.6788 -2.7431 0.0712 C.3 1 noname 0.0843 6 C2 -0.8579 -2.9920 -1.1955 C.3 1 noname 0.0843 7 C3 -1.2423 -0.8415 -0.8573 C.3 1 noname 0.1845 8 C4 0.3223 -3.9084 -0.8665 C.3 1 noname -0.0360 9 C5 -3.1686 -2.8689 -0.2537 C.3 1 noname -0.0360 10 C6 -0.7631 0.5446 -0.7385 C.2 1 noname -0.0343 11 C7 -1.7543 1.5746 -0.6195 C.2 1 noname -0.0031 12 C8 0.6426 0.8447 -0.6920 C.2 1 noname -0.0440 13 C9 -1.3402 2.9330 -0.4567 C.2 1 noname 0.0291 14 C10 1.0703 2.1967 -0.5365 C.2 1 noname -0.0183 15 C11 0.0656 3.2128 -0.4230 C.2 1 noname 0.0250 16 C12 -2.5663 4.1140 1.0329 C.3 1 noname 0.0424 17 H1 -1.5096 -3.4085 -1.9636 H 1 noname 0.0628 18 H2 -1.4555 -3.4559 0.8649 H 1 noname 0.0628 19 H3 -2.2549 -0.8923 -1.2575 H 1 noname 0.0978 20 H4 -0.0506 -4.8892 -0.5711 H 1 noname 0.0258 21 H5 0.8997 -3.4778 -0.0484 H 1 noname 0.0258 22 H6 -3.3934 -3.8975 -0.5357 H 1 noname 0.0258 23 H7 -3.7560 -2.5959 0.6230 H 1 noname 0.0258 24 H8 -3.4179 -2.2029 -1.0797 H 1 noname 0.0258 25 H9 0.9585 -4.0113 -1.7455 H 1 noname 0.0258 26 H10 -2.7464 1.3397 -0.6507 H 1 noname 0.0655 27 H11 1.3300 0.0951 -0.7698 H 1 noname 0.0628 28 H12 2.0620 2.4335 -0.5069 H 1 noname 0.0651 29 H13 1.4413 4.5354 -0.2713 H 1 noname 0.2183 30 H14 -3.2991 4.9151 1.1287 H 1 noname 0.0535 31 H15 -2.9809 3.1917 1.4399 H 1 noname 0.0535 32 H16 -1.6633 4.3799 1.5824 H 1 noname 0.0535 @BOND 1 1 5 1 2 1 7 1 3 2 6 1 4 2 7 1 5 3 13 1 6 3 16 1 7 4 15 1 8 4 29 1 9 5 6 1 10 5 9 1 11 5 18 1 12 6 8 1 13 6 17 1 14 7 10 1 15 7 19 1 16 8 20 1 17 8 21 1 18 8 25 1 19 9 22 1 20 9 23 1 21 9 24 1 22 10 11 2 23 10 12 1 24 11 13 1 25 11 26 1 26 12 14 2 27 12 27 1 28 13 15 2 29 14 15 1 30 14 28 1 31 16 30 1 32 16 31 1 33 16 32 1 @SUBSTRUCTURE 1 noname 1