@MOLECULE 71587194 31 34 1 SMALL USER_CHARGES @ATOM 1 O1 -4.3095 -3.2489 -0.4344 O.3 1 noname -0.3531 2 O2 -2.0854 1.1696 -0.2516 O.2 1 noname -0.2966 3 N1 -0.6981 -3.4967 0.3142 N.3 1 noname -0.0034 4 N2 1.9480 1.2696 -0.0723 N.3 1 noname 0.0331 5 N3 -1.9740 -1.6727 0.0334 N.2 1 noname -0.2090 6 C1 -0.1028 -0.0112 -0.0469 C.2 1 noname 0.0314 7 C2 -0.6995 -1.2887 0.0778 C.2 1 noname 0.0359 8 C3 0.1044 -2.4242 0.2639 C.2 1 noname -0.0456 9 C4 1.3351 0.0486 0.0279 C.2 1 noname 0.0022 10 C5 1.5092 -2.3806 0.3500 C.2 1 noname -0.0247 11 C6 -1.9487 -3.0152 0.0927 C.2 1 noname -0.0041 12 C7 2.1311 -1.1135 0.2274 C.2 1 noname -0.0333 13 C8 -0.8372 1.2006 -0.1918 C.2 1 noname 0.0788 14 C9 1.2608 2.4495 -0.2122 C.2 1 noname -0.0484 15 C10 -0.1572 2.4406 -0.2684 C.2 1 noname 0.0260 16 C11 -3.0740 -3.7627 -0.2805 C.2 1 noname 0.0696 17 C12 1.9878 3.7123 -0.3032 C.3 1 noname -0.0396 18 C13 -3.0525 -5.0706 -0.7530 C.2 1 noname 0.0190 19 C14 -4.3303 -5.3268 -1.2082 C.2 1 noname 0.0061 20 C15 -5.0917 -4.1856 -0.9935 C.2 1 noname 0.0408 21 H1 -0.4411 -4.4182 0.4742 H 1 noname 0.1544 22 H2 2.0577 -3.2283 0.4951 H 1 noname 0.0643 23 H3 3.1466 -1.0347 0.2819 H 1 noname 0.0629 24 H4 2.9170 1.3021 -0.0429 H 1 noname 0.0631 25 H5 -0.6779 3.3126 -0.3624 H 1 noname 0.0666 26 H6 2.5782 3.8576 0.6015 H 1 noname 0.0279 27 H7 1.2785 4.5330 -0.4098 H 1 noname 0.0279 28 H8 2.6495 3.6891 -1.1691 H 1 noname 0.0279 29 H9 -2.2568 -5.7088 -0.7614 H 1 noname 0.0652 30 H10 -4.6566 -6.1978 -1.6270 H 1 noname 0.0644 31 H11 -6.0798 -4.0772 -1.2222 H 1 noname 0.0900 @BOND 1 1 16 1 2 1 20 1 3 2 13 2 4 3 8 1 5 3 11 1 6 3 21 1 7 4 9 1 8 4 14 1 9 4 24 1 10 5 7 1 11 5 11 2 12 6 7 1 13 6 9 2 14 6 13 1 15 7 8 2 16 8 10 1 17 9 12 1 18 10 12 2 19 10 22 1 20 11 16 1 21 12 23 1 22 13 15 1 23 14 15 2 24 14 17 1 25 15 25 1 26 16 18 2 27 17 26 1 28 17 27 1 29 17 28 1 30 18 19 1 31 18 29 1 32 19 20 2 33 19 30 1 34 20 31 1 @SUBSTRUCTURE 1 noname 1