@MOLECULE 69450787 32 34 1 SMALL USER_CHARGES @ATOM 1 O1 -4.4932 1.9257 0.7366 O.2 1 noname -0.2972 2 N1 1.3972 0.0492 0.0487 N.3 1 noname -0.0376 3 N2 0.6582 2.1610 -0.0292 N.2 1 noname -0.2398 4 N3 2.9741 1.8157 -0.2970 N.3 1 noname -0.1044 5 C1 0.0667 0.0320 0.1654 C.2 1 noname -0.0793 6 C2 -0.3918 1.3519 0.1079 C.2 1 noname 0.0126 7 C3 -2.6731 0.5926 0.3519 C.2 1 noname 0.0002 8 C4 -1.7617 1.6578 0.1866 C.2 1 noname 0.0269 9 C5 -0.8150 -1.0344 0.3557 C.2 1 noname -0.0290 10 C6 1.7374 1.3497 -0.0840 C.2 1 noname -0.0101 11 C7 -2.1627 -0.7274 0.5362 C.2 1 noname -0.0093 12 C8 2.2617 -1.0886 0.0614 C.3 1 noname -0.0552 13 C9 -4.0716 0.8274 0.2566 C.2 1 noname 0.0623 14 C10 -4.9927 -0.0935 -0.3684 C.2 1 noname -0.0167 15 C11 -6.3976 0.1710 -0.3141 C.2 1 noname -0.0193 16 C12 -4.5678 -1.2783 -1.0797 C.2 1 noname -0.0193 17 C13 -7.3300 -0.7559 -0.8616 C.2 1 noname -0.0478 18 C14 -5.4955 -2.2500 -1.5200 C.2 1 noname -0.0478 19 C15 -6.8728 -1.9864 -1.4135 C.2 1 noname -0.0425 20 H1 -2.0867 2.6280 0.1285 H 1 noname 0.0653 21 H2 -0.5063 -2.0125 0.3514 H 1 noname 0.0643 22 H3 -2.7702 -1.5151 0.7377 H 1 noname 0.0631 23 H4 2.8116 -1.1376 -0.8785 H 1 noname 0.0437 24 H5 1.6681 -1.9947 0.1826 H 1 noname 0.0437 25 H6 2.9649 -1.0014 0.8896 H 1 noname 0.0437 26 H7 2.9494 2.7836 -0.3546 H 1 noname 0.1271 27 H8 3.3184 1.4511 -1.1273 H 1 noname 0.1271 28 H9 -6.7664 1.0475 0.0931 H 1 noname 0.0630 29 H10 -3.5874 -1.4562 -1.3014 H 1 noname 0.0630 30 H11 -8.3265 -0.5380 -0.8583 H 1 noname 0.0622 31 H12 -5.1691 -3.1337 -1.9111 H 1 noname 0.0622 32 H13 -7.5482 -2.6806 -1.7335 H 1 noname 0.0622 @BOND 1 1 13 2 2 2 5 1 3 2 10 1 4 2 12 1 5 3 6 1 6 3 10 2 7 4 10 1 8 4 26 1 9 4 27 1 10 5 6 2 11 5 9 1 12 6 8 1 13 7 8 2 14 7 11 1 15 7 13 1 16 8 20 1 17 9 11 2 18 9 21 1 19 11 22 1 20 12 23 1 21 12 24 1 22 12 25 1 23 13 14 1 24 14 15 2 25 14 16 1 26 15 17 1 27 15 28 1 28 16 18 2 29 16 29 1 30 17 19 2 31 17 30 1 32 18 19 1 33 18 31 1 34 19 32 1 @SUBSTRUCTURE 1 noname 1