@MOLECULE 76967288 34 35 1 SMALL USER_CHARGES @ATOM 1 O1 4.4960 -1.3542 2.6344 O.3 1 noname -0.3548 2 O2 6.3588 -0.4848 1.3414 O.3 1 noname -0.3548 3 N1 4.0004 1.8433 -1.4835 N.3 1 noname -0.3018 4 N2 0.1547 2.4867 0.3878 N.2 1 noname -0.2516 5 C1 4.0372 0.0200 0.5345 C.3 1 noname 0.0257 6 C2 3.8449 1.5267 0.0348 C.3 1 noname 0.0430 7 C3 5.4350 -0.6506 0.2590 C.3 1 noname 0.0564 8 C4 3.7336 -0.2535 2.0820 C.3 1 noname 0.0564 9 C5 2.5313 2.1014 0.5935 C.2 1 noname -0.0122 10 C6 5.9340 -1.2260 2.5032 C.3 1 noname 0.1464 11 C7 3.9149 3.3053 -1.8072 C.3 1 noname -0.0130 12 C8 5.0850 1.2633 -2.3344 C.3 1 noname -0.0130 13 C9 2.4464 2.7625 1.8589 C.2 1 noname -0.0318 14 C10 1.3126 1.9825 -0.1144 C.2 1 noname 0.0067 15 C11 1.2261 3.2485 2.3677 C.2 1 noname -0.0241 16 C12 0.0640 3.1068 1.5940 C.2 1 noname -0.0024 17 H1 3.2996 -0.5758 -0.0055 H 1 noname 0.0369 18 H2 4.6652 2.0418 0.5450 H 1 noname 0.0523 19 H3 5.3269 -1.7009 0.0181 H 1 noname 0.0571 20 H4 5.9891 -0.2348 -0.5372 H 1 noname 0.0571 21 H5 2.6641 -0.4756 2.2423 H 1 noname 0.0571 22 H6 3.9556 0.6218 2.6930 H 1 noname 0.0571 23 H7 6.3464 -0.7315 3.3672 H 1 noname 0.0882 24 H8 6.3510 -2.2291 2.4737 H 1 noname 0.0882 25 H9 3.7266 3.5353 -2.8595 H 1 noname 0.0394 26 H10 5.1760 1.7026 -3.3299 H 1 noname 0.0394 27 H11 4.8774 0.2046 -2.5029 H 1 noname 0.0394 28 H12 6.0373 1.3615 -1.8132 H 1 noname 0.0394 29 H13 3.1453 3.7696 -1.1906 H 1 noname 0.0394 30 H14 4.8699 3.7569 -1.5388 H 1 noname 0.0394 31 H15 3.2838 2.8957 2.4291 H 1 noname 0.0627 32 H16 1.2766 1.5315 -1.0309 H 1 noname 0.0842 33 H17 1.1753 3.7023 3.2796 H 1 noname 0.0638 34 H18 -0.8399 3.4709 1.9220 H 1 noname 0.0839 @BOND 1 1 8 1 2 1 10 1 3 2 7 1 4 2 10 1 5 6 3 1 6 3 11 1 7 3 12 1 8 4 14 1 9 4 16 2 10 5 6 1 11 5 7 1 12 5 8 1 13 5 17 1 14 6 9 1 15 6 18 1 16 7 19 1 17 7 20 1 18 8 21 1 19 8 22 1 20 9 13 1 21 9 14 2 22 10 23 1 23 10 24 1 24 11 25 1 25 11 29 1 26 11 30 1 27 12 26 1 28 12 27 1 29 12 28 1 30 13 15 2 31 13 31 1 32 14 32 1 33 15 16 1 34 15 33 1 35 16 34 1 @SUBSTRUCTURE 1 noname 1