@MOLECULE G93_1_3D0E 59 62 0 0 0 SMALL USER_CHARGES @ATOM 1 C1 23.1600 -19.9980 11.5980 C.3 1 <0> -0.0489 2 C2 25.2950 -15.2760 3.0820 C.3 1 <0> -0.0249 3 C3 23.0250 -14.3660 3.6270 C.3 1 <0> -0.0249 4 C4 22.9220 -20.5070 6.5930 C.ar 1 <0> 0.0609 5 C5 22.0000 -25.0130 11.2320 C.3 1 <0> -0.0121 6 C6 22.5070 -23.9270 10.2930 C.3 1 <0> -0.0384 7 C7 20.6670 -24.6070 11.8580 C.3 1 <0> -0.0337 8 C8 20.1950 -23.1780 9.7950 C.3 1 <0> -0.0286 9 C9 21.9730 -19.3950 10.8850 C.3 1 <0> 0.0160 10 C10 22.0360 -22.7210 8.1490 C.3 1 <0> 0.0620 11 C11 23.4950 -17.2510 5.4310 C.1 1 <0> -0.0414 12 C12 23.7580 -16.5350 4.5080 C.1 1 <0> -0.0614 13 C13 22.6090 -20.3370 7.9460 C.ar 1 <0> 0.1177 14 C14 23.2300 -18.1920 6.2720 C.ar 1 <0> 0.1408 15 C15 22.9190 -17.9470 7.6130 C.ar 1 <0> 0.1236 16 C16 22.6150 -19.0290 8.4490 C.ar 1 <0> 0.0954 17 C17 22.3560 -16.2720 10.7260 C.2 1 <0> 0.1750 18 C18 22.3130 -14.8950 10.5380 C.2 1 <0> 0.1773 19 C19 22.5090 -17.2610 9.5990 C.2 1 <0> 0.1578 20 C20 21.4890 -23.6990 9.1840 C.3 1 <0> 0.0232 21 C21 23.8360 -15.6260 3.3430 C.3 1 <0> 0.1212 22 N1 22.3620 -14.2920 9.3140 N.pl3 1 <0> -0.3395 23 N2 23.2120 -19.4600 5.8090 N.ar 1 <0> -0.2419 24 N3 22.8530 -16.8290 8.3640 N.2 1 <0> -0.2252 25 N4 22.3110 -16.5930 12.0410 N.2 1 <0> -0.0977 26 N5 22.1870 -14.2090 11.6860 N.2 1 <0> -0.0872 27 N6 19.7470 -24.0150 10.9020 N.4 1 <0> 0.2272 28 N7 22.3560 -18.5990 9.7030 N.pl3 1 <0> -0.2797 29 O1 23.3240 -16.2800 2.1780 O.3 1 <0> -0.3771 30 O2 22.1900 -15.2830 12.6420 O.3 1 <0> -0.1041 31 O3 22.3080 -21.4340 8.7240 O.3 1 <0> -0.3408 32 H1 22.8117 -20.5768 12.4661 H 1 <0> 0.0245 33 H2 23.7030 -20.6616 10.9090 H 1 <0> 0.0245 34 H3 23.8301 -19.1947 11.9381 H 1 <0> 0.0245 35 H4 25.8628 -16.1961 2.8795 H 1 <0> 0.0267 36 H5 25.3612 -14.6057 2.2124 H 1 <0> 0.0267 37 H6 25.7150 -14.7731 3.9656 H 1 <0> 0.0267 38 H7 21.9757 -14.6388 3.8127 H 1 <0> 0.0267 39 H8 23.4342 -13.8588 4.5132 H 1 <0> 0.0267 40 H9 23.0803 -13.6913 2.7600 H 1 <0> 0.0267 41 H10 22.9300 -21.5017 6.1724 H 1 <0> 0.0857 42 H11 21.8607 -25.9438 10.6627 H 1 <0> 0.0317 43 H12 22.7391 -25.1704 12.0314 H 1 <0> 0.0317 44 H13 22.6509 -22.9932 10.8562 H 1 <0> 0.0272 45 H14 23.4648 -24.2409 9.8526 H 1 <0> 0.0272 46 H15 20.1952 -25.5067 12.2798 H 1 <0> 0.0814 47 H16 20.8672 -23.8681 12.6479 H 1 <0> 0.0814 48 H17 20.3666 -22.1582 10.1698 H 1 <0> 0.0817 49 H18 19.4154 -23.1711 9.0190 H 1 <0> 0.0817 50 H19 21.3164 -20.2129 10.5534 H 1 <0> 0.0465 51 H20 21.4443 -18.7360 11.5895 H 1 <0> 0.0465 52 H21 22.9714 -23.1287 7.7380 H 1 <0> 0.0570 53 H22 21.2904 -22.5998 7.3494 H 1 <0> 0.0570 54 H23 21.2865 -24.6499 8.6694 H 1 <0> 0.0375 55 H24 22.2905 -13.3010 9.4270 H 1 <0> 0.1438 56 H25 23.2285 -14.5148 8.8673 H 1 <0> 0.1438 57 H26 19.2764 -24.7874 10.4754 H 1 <0> 0.2013 58 H27 19.1409 -23.4332 11.4444 H 1 <0> 0.2013 59 H28 22.4125 -16.5086 2.3175 H 1 <0> 0.2114 @BOND 1 1 9 1 2 2 21 1 3 3 21 1 4 4 13 ar 5 4 23 ar 6 5 6 1 7 5 7 1 8 6 20 1 9 7 27 1 10 8 20 1 11 8 27 1 12 9 28 1 13 10 20 1 14 10 31 1 15 11 12 3 16 11 14 1 17 12 21 1 18 13 16 ar 19 13 31 1 20 14 15 ar 21 14 23 ar 22 15 16 ar 23 15 24 1 24 16 28 1 25 17 18 1 26 17 19 1 27 17 25 2 28 18 22 1 29 18 26 2 30 19 24 2 31 19 28 1 32 21 29 1 33 25 30 1 34 26 30 1 35 1 32 1 36 1 33 1 37 1 34 1 38 2 35 1 39 2 36 1 40 2 37 1 41 3 38 1 42 3 39 1 43 3 40 1 44 4 41 1 45 5 42 1 46 5 43 1 47 6 44 1 48 6 45 1 49 7 46 1 50 7 47 1 51 8 48 1 52 8 49 1 53 9 50 1 54 9 51 1 55 10 52 1 56 10 53 1 57 20 54 1 58 22 55 1 59 22 56 1 60 27 57 1 61 27 58 1 62 29 59 1