@META C19 C43 C23 @MOLECULE **** 64 67 0 0 0 SMALL USER_CHARGES @ATOM 1 C14 6.5820 -1.4610 -0.0010 C.3 1 <0> 0.0732 2 H8 7.2400 -1.9900 0.6890 H 1 <0> 0.0898 3 H9 5.5770 -1.8570 0.1520 H 1 <0> 0.0898 4 C12 7.0420 -1.6950 -1.4600 C.3 1 <0> 0.0440 5 H4 6.3250 -1.2810 -2.1700 H 1 <0> 0.0488 6 H5 7.0700 -2.7690 -1.6510 H 1 <0> 0.0488 7 N5 8.3770 -1.1270 -1.6780 N.3 1 <0> -0.2957 8 C19 8.7870 -1.3670 -3.0580 C.3 1 <0> -0.0129 9 H21 9.7810 -0.9580 -3.2440 H 1 <0> 0.0394 10 H22 8.0980 -0.9100 -3.7710 H 1 <0> 0.0394 11 H23 8.8300 -2.4360 -3.2700 H 1 <0> 0.0394 12 C13 8.3310 0.3170 -1.4250 C.3 1 <0> 0.0440 13 H6 7.6250 0.8120 -2.0950 H 1 <0> 0.0488 14 H7 9.3110 0.7540 -1.6250 H 1 <0> 0.0488 15 C15 7.9610 0.5700 0.0510 C.3 1 <0> 0.0732 16 H10 7.9630 1.6390 0.2700 H 1 <0> 0.0898 17 H11 8.6920 0.1070 0.7160 H 1 <0> 0.0898 18 N6 6.6110 -0.0000 0.3170 N.4 1 <0> 0.5064 19 H31 6.8580 0.2370 1.2670 H 1 <0> 0.3175 20 S1 5.2650 0.9500 -0.1810 S.o2 1 <0> -0.1538 21 O2 4.9220 0.6310 -1.5540 O.2 1 <0> -0.4625 22 O3 5.4930 2.3220 0.2280 O.2 1 <0> -0.4625 23 C7 3.9480 0.3240 0.8580 C.ar 1 <0> 0.3513 24 C3 2.6590 0.1900 0.3160 C.ar 1 <0> 0.0782 25 H3 2.4860 0.4870 -0.7080 H 1 <0> 0.0761 26 C2 4.2250 -0.0360 2.1870 C.ar 1 <0> 0.0675 27 H2 5.2220 0.0740 2.5860 H 1 <0> 0.0753 28 C1 3.1830 -0.5420 2.9870 C.ar 1 <0> -0.0189 29 H1 3.4280 -0.8220 4.0010 H 1 <0> 0.0655 30 C6 1.8680 -0.6860 2.4660 C.ar 1 <0> 0.0865 31 O4 0.8330 -1.2090 3.2170 O.3 1 <0> -0.3456 32 C22 1.0300 -1.4040 4.6100 C.3 1 <0> 0.0505 33 C17 -0.3060 -1.8140 5.2310 C.3 1 <0> -0.0410 34 H15 -1.0610 -1.0430 5.0760 H 1 <0> 0.0254 35 H16 -0.6740 -2.7400 4.7890 H 1 <0> 0.0254 36 H17 -0.2030 -1.9720 6.3040 H 1 <0> 0.0254 37 H28 1.7750 -2.1830 4.7810 H 1 <0> 0.0569 38 H29 1.3850 -0.4840 5.0770 H 1 <0> 0.0569 39 C4 1.6050 -0.3090 1.1160 C.ar 1 <0> 0.0574 40 C10 0.2630 -0.4270 0.5070 C.2 1 <0> 0.1353 41 N4 0.1690 -0.9950 -0.7580 N.am 1 <0> -0.2641 42 C11 -0.9910 -1.1430 -1.4370 C.2 1 <0> 0.2666 43 O1 -1.0420 -1.6560 -2.5590 O.2 1 <0> -0.2699 44 H30 1.0190 -1.3310 -1.1840 H 1 <0> 0.1576 45 N2 -0.7710 0.0330 1.1680 N.2 1 <0> -0.2284 46 C5 -2.0100 -0.1080 0.4990 C.2 1 <0> 0.1168 47 C8 -2.1500 -0.6580 -0.7360 C.2 1 <0> 0.1410 48 N3 -3.4890 -0.6220 -1.0490 N.pl3 1 <0> -0.2209 49 C18 -4.2160 -1.0630 -2.2240 C.3 1 <0> 0.0236 50 H18 -3.5060 -1.4000 -2.9780 H 1 <0> 0.0454 51 H19 -4.8730 -1.8820 -1.9300 H 1 <0> 0.0454 52 H20 -4.7950 -0.2210 -2.6030 H 1 <0> 0.0454 53 N1 -4.2090 -0.0640 -0.0400 N.2 1 <0> -0.1838 54 C9 -3.3250 0.2570 0.9160 C.2 1 <0> 0.0866 55 C20 -3.6760 0.9070 2.2380 C.3 1 <0> -0.0068 56 H24 -3.0790 0.4490 3.0280 H 1 <0> 0.0333 57 H25 -4.7240 0.7140 2.4680 H 1 <0> 0.0333 58 C21 -3.4070 2.4160 2.1560 C.3 1 <0> -0.0504 59 H26 -3.9950 2.8480 1.3450 H 1 <0> 0.0268 60 H27 -2.3590 2.5870 1.9020 H 1 <0> 0.0268 61 C16 -3.7350 3.1400 3.4660 C.3 1 <0> -0.0650 62 H12 -3.1340 2.7560 4.2900 H 1 <0> 0.0230 63 H13 -3.5350 4.2090 3.3800 H 1 <0> 0.0230 64 H14 -4.7860 3.0200 3.7310 H 1 <0> 0.0230 @BOND 1 28 26 ar 2 28 30 ar 3 26 23 ar 4 24 39 ar 5 24 23 ar 6 39 30 ar 7 39 40 1 8 46 47 2 9 46 54 1 10 46 45 1 11 30 31 1 12 23 20 1 13 47 42 1 14 47 48 1 15 54 55 1 16 54 53 2 17 40 45 2 18 40 41 1 19 42 41 am 20 42 43 2 21 4 1 1 22 4 7 1 23 12 15 1 24 12 7 1 25 1 18 1 26 15 18 1 27 61 58 1 28 33 32 1 29 49 48 1 30 8 7 1 31 55 58 1 32 32 31 1 33 53 48 1 34 18 20 1 35 21 20 2 36 22 20 2 37 28 29 1 38 26 27 1 39 24 25 1 40 4 5 1 41 4 6 1 42 12 13 1 43 12 14 1 44 1 2 1 45 1 3 1 46 15 16 1 47 15 17 1 48 61 62 1 49 61 63 1 50 61 64 1 51 33 34 1 52 33 35 1 53 33 36 1 54 49 50 1 55 49 51 1 56 49 52 1 57 8 9 1 58 8 10 1 59 8 11 1 60 55 56 1 61 55 57 1 62 58 59 1 63 58 60 1 64 32 37 1 65 32 38 1 66 41 44 1 67 18 19 1