@MOLECULE 119025833 29 30 1 SMALL USER_CHARGES @ATOM 1 O1 1.7393 0.8648 1.1641 O.3 1 noname -0.3401 2 O2 5.3585 -7.3006 0.1177 O.3 1 noname -0.2547 3 O3 7.2720 -3.1086 -0.0924 O.2 1 noname -0.2400 4 O4 -0.6956 1.5742 0.6580 O.3 1 noname -0.2168 5 O5 -0.4390 2.3065 2.4849 O.2 1 noname -0.2451 6 N1 5.0833 -4.0040 -0.6842 N.3 1 noname 0.0973 7 N2 6.3728 -5.2566 0.4290 N.2 1 noname -0.1165 8 N3 4.1605 -3.1146 -0.5557 N.2 1 noname -0.2575 9 N4 -0.0556 2.3856 1.3876 N.2 1 noname -0.1685 10 C1 4.8486 -5.2972 -1.1862 C.3 1 noname 0.0949 11 C2 5.5455 -6.0249 -0.1652 C.2 1 noname 0.0693 12 C3 6.3891 -3.9933 -0.1063 C.2 1 noname 0.1282 13 C4 3.0868 0.9813 1.1939 C.2 1 noname 0.0497 14 C5 3.4561 2.2985 1.4009 C.2 1 noname 0.0178 15 C6 3.9723 -0.0280 0.9911 C.2 1 noname 0.0071 16 C7 1.2161 2.0954 1.3491 C.2 1 noname 0.1048 17 C8 2.2619 3.0022 1.4919 C.2 1 noname 0.0463 18 C9 3.5314 -1.0819 0.3249 C.2 1 noname -0.0047 19 C10 4.3717 -2.0537 0.1177 C.2 1 noname 0.0126 20 H1 3.7834 -5.5212 -1.1293 H 1 noname 0.0546 21 H2 5.2967 -5.5499 -2.1472 H 1 noname 0.0546 22 H3 4.4024 2.6726 1.4715 H 1 noname 0.0652 23 H4 4.9027 0.0226 1.3258 H 1 noname 0.0650 24 H5 2.1681 4.0074 1.6379 H 1 noname 0.0680 25 H6 2.5986 -1.1297 -0.0034 H 1 noname 0.0640 26 H7 5.2686 -1.9588 0.5259 H 1 noname 0.0853 27 H8 5.9521 -7.5628 0.8520 H 1 noname 0.2196 28 H9 -1.6506 1.7921 0.6869 H 1 noname 0.2598 29 H10 -0.1862 3.2566 1.0739 H 1 noname 0.2799 @BOND 1 1 13 1 2 1 16 1 3 2 11 1 4 2 27 1 5 3 12 2 6 4 9 1 7 4 28 1 8 5 9 2 9 6 8 1 10 6 10 1 11 6 12 1 12 7 11 2 13 7 12 1 14 8 19 2 15 9 16 1 16 9 29 1 17 10 11 1 18 10 20 1 19 10 21 1 20 13 14 2 21 13 15 1 22 14 17 1 23 14 22 1 24 15 18 2 25 15 23 1 26 16 17 2 27 17 24 1 28 18 19 1 29 18 25 1 30 19 26 1 @SUBSTRUCTURE 1 noname 1