@MOLECULE Abacavir 39 42 0 0 0 SMALL GASTEIGER Energy = 0 @ATOM 1 C1 1.4958 0.4013 -0.2100 C.ar 1 <1> 0.1476 2 C2 0.2768 0.3536 0.4770 C.ar 1 <1> 0.1677 3 C3 1.6650 -0.4358 -1.3193 C.ar 1 <1> 0.1518 4 N1 2.2785 1.3040 0.3969 N.ar 1 <1> -0.2306 5 N2 0.3708 1.2641 1.5138 N.ar 1 <1> -0.3079 6 N3 -0.6816 -0.4832 0.0566 N.ar 1 <1> -0.1949 7 N4 2.8798 -0.4223 -2.0448 N.pl3 1 <1> -0.3243 8 N5 0.6666 -1.2499 -1.6880 N.ar 1 <1> -0.1976 9 C4 1.6264 1.8390 1.4381 C.ar 1 <1> 0.0988 10 C5 -0.6684 1.5643 2.5092 C.3 1 <1> 0.0560 11 C6 -0.4886 -1.2721 -1.0092 C.ar 1 <1> 0.2162 12 C7 3.9298 -1.4043 -1.7385 C.3 1 <1> 0.0221 13 C8 -1.7888 2.3991 1.8616 C.3 1 <1> -0.0201 14 C9 -1.3215 0.2840 2.9723 C.2 1 <1> -0.0650 15 N6 -1.5132 -2.1357 -1.4215 N.pl3 1 <1> -0.3274 16 C10 5.3526 -0.9682 -1.8127 C.3 1 <1> -0.0329 17 C11 4.7990 -1.8836 -2.8498 C.3 1 <1> -0.0329 18 C12 -3.0608 1.7714 2.4613 C.3 1 <1> 0.0025 19 C13 -2.6563 0.3995 2.9457 C.2 1 <1> -0.0807 20 C14 -4.1367 1.6460 1.3836 C.3 1 <1> 0.0505 21 O1 -5.3481 1.1665 1.9730 O.3 1 <1> -0.3944 22 H1 3.0254 0.2621 -2.7732 H 1 <1> 0.1478 23 H2 2.0160 2.5929 2.1061 H 1 <1> 0.1029 24 H3 -0.2544 2.0983 3.3619 H 1 <1> 0.0573 25 H4 3.6444 -2.1112 -0.9622 H 1 <1> 0.0498 26 H5 -1.7745 2.3141 0.7770 H 1 <1> 0.0295 27 H6 -1.7028 3.4524 2.1205 H 1 <1> 0.0295 28 H7 -0.7870 -0.6018 3.2821 H 1 <1> 0.0589 29 H8 -1.3822 -2.7240 -2.2319 H 1 <1> 0.1452 30 H9 -2.3823 -2.1695 -0.9080 H 1 <1> 0.1452 31 H10 5.5475 0.0617 -2.1044 H 1 <1> 0.0284 32 H11 6.0457 -1.3908 -1.0883 H 1 <1> 0.0284 33 H12 4.6207 -1.4707 -3.8405 H 1 <1> 0.0284 34 H13 5.1190 -2.9232 -2.8243 H 1 <1> 0.0284 35 H14 -3.4104 2.3715 3.2988 H 1 <1> 0.0366 36 H15 -3.3468 -0.3803 3.2309 H 1 <1> 0.0573 37 H16 -3.8042 0.9474 0.6187 H 1 <1> 0.0563 38 H17 -4.3136 2.6203 0.9327 H 1 <1> 0.0563 39 H18 -6.0582 1.1140 1.3142 H 1 <1> 0.2094 @BOND 1 1 2 ar 2 1 3 ar 3 1 4 ar 4 2 5 ar 5 2 6 ar 6 3 7 1 7 3 8 ar 8 4 9 ar 9 5 10 1 10 6 11 ar 11 7 12 1 12 10 13 1 13 10 14 1 14 11 15 1 15 12 16 1 16 12 17 1 17 13 18 1 18 14 19 2 19 18 20 1 20 20 21 1 21 5 9 ar 22 8 11 ar 23 16 17 1 24 18 19 1 25 7 22 1 26 9 23 1 27 10 24 1 28 12 25 1 29 13 26 1 30 13 27 1 31 14 28 1 32 15 29 1 33 15 30 1 34 16 31 1 35 16 32 1 36 17 33 1 37 17 34 1 38 18 35 1 39 19 36 1 40 20 37 1 41 20 38 1 42 21 39 1