@MOLECULE 70303011 30 30 1 SMALL USER_CHARGES @ATOM 1 O1 1.3209 -1.6075 -1.5042 O.3 1 noname -0.3415 2 O2 0.1031 0.4054 -4.4283 O.3 1 noname -0.3757 3 O3 1.4963 -3.5778 -3.9631 O.3 1 noname -0.3732 4 O4 -1.7098 -2.1613 -4.1271 O.3 1 noname -0.3873 5 O5 1.4880 -3.9449 -1.2687 O.3 1 noname -0.3656 6 O6 2.4187 0.9531 -0.9613 O.3 1 noname -0.3934 7 C1 -0.0674 -0.5293 -3.3730 C.3 1 noname 0.1143 8 C2 -0.3144 -1.9496 -3.9709 C.3 1 noname 0.1139 9 C3 0.3235 -3.1866 -3.2646 C.3 1 noname 0.1362 10 C4 1.1771 -0.4896 -2.4386 C.3 1 noname 0.1126 11 C5 0.6785 -2.8947 -1.7769 C.3 1 noname 0.1840 12 C6 1.1902 0.8288 -1.6625 C.3 1 noname 0.0722 13 C7 -1.0659 0.4278 -5.2342 C.3 1 noname 0.0362 14 C8 1.1597 -3.9176 -5.3002 C.3 1 noname 0.0363 15 H1 -0.9442 -0.2410 -2.7933 H 1 noname 0.0659 16 H2 0.1411 -1.9392 -4.9611 H 1 noname 0.0658 17 H3 -0.3103 -4.0703 -3.3388 H 1 noname 0.0685 18 H4 2.0388 -0.5561 -3.1028 H 1 noname 0.0657 19 H5 -0.2775 -2.8561 -1.2547 H 1 noname 0.0949 20 H6 0.3636 0.8405 -0.9521 H 1 noname 0.0591 21 H7 1.0831 1.6611 -2.3582 H 1 noname 0.0591 22 H8 -2.1503 -2.0931 -3.2544 H 1 noname 0.2106 23 H9 1.5984 -3.8333 -0.3013 H 1 noname 0.2134 24 H10 -0.9350 1.1452 -6.0443 H 1 noname 0.0529 25 H11 -1.9215 0.7195 -4.6252 H 1 noname 0.0529 26 H12 -1.2384 -0.5642 -5.6518 H 1 noname 0.0529 27 H13 2.0599 -4.2179 -5.8363 H 1 noname 0.0529 28 H14 0.4466 -4.7420 -5.2970 H 1 noname 0.0529 29 H15 0.7142 -3.0537 -5.7934 H 1 noname 0.0529 30 H16 2.4272 1.7976 -0.4641 H 1 noname 0.2101 @BOND 1 1 10 1 2 1 11 1 3 7 2 1 4 2 13 1 5 9 3 1 6 3 14 1 7 8 4 1 8 4 22 1 9 11 5 1 10 5 23 1 11 6 12 1 12 6 30 1 13 7 8 1 14 7 10 1 15 7 15 1 16 8 9 1 17 8 16 1 18 9 11 1 19 9 17 1 20 10 12 1 21 10 18 1 22 11 19 1 23 12 20 1 24 12 21 1 25 13 24 1 26 13 25 1 27 13 26 1 28 14 27 1 29 14 28 1 30 14 29 1 @SUBSTRUCTURE 1 noname 1