Abacavir National University of Singapore, Department of Computational Science 39 42 0 0 0 0 999 V2000 1.4958 0.4013 -0.2100 C 0 0 0 0 0 0 0.2768 0.3536 0.4770 C 0 0 0 0 0 0 1.6650 -0.4358 -1.3193 C 0 0 0 0 0 0 2.2785 1.3040 0.3969 N 0 0 0 0 0 0 0.3708 1.2641 1.5138 N 0 0 3 0 0 0 -0.6816 -0.4832 0.0566 N 0 0 0 0 0 0 2.8798 -0.4223 -2.0448 N 0 0 0 0 0 0 0.6666 -1.2499 -1.6880 N 0 0 0 0 0 0 1.6264 1.8390 1.4381 C 0 0 0 0 0 0 -0.6684 1.5643 2.5092 C 0 0 3 0 0 0 -0.4886 -1.2721 -1.0092 C 0 0 0 0 0 0 3.9298 -1.4043 -1.7385 C 0 0 3 0 0 0 -1.7888 2.3991 1.8616 C 0 0 0 0 0 0 -1.3215 0.2840 2.9723 C 0 0 0 0 0 0 -1.5132 -2.1357 -1.4215 N 0 0 0 0 0 0 5.3526 -0.9682 -1.8127 C 0 0 0 0 0 0 4.7990 -1.8836 -2.8498 C 0 0 0 0 0 0 -3.0608 1.7714 2.4613 C 0 0 3 0 0 0 -2.6563 0.3995 2.9457 C 0 0 0 0 0 0 -4.1367 1.6460 1.3836 C 0 0 0 0 0 0 -5.3481 1.1665 1.9730 O 0 0 0 0 0 0 3.0254 0.2621 -2.7732 H 0 0 0 0 0 0 2.0160 2.5929 2.1061 H 0 0 0 0 0 0 -0.2544 2.0983 3.3619 H 0 0 0 0 0 0 3.6444 -2.1112 -0.9622 H 0 0 0 0 0 0 -1.7745 2.3141 0.7770 H 0 0 0 0 0 0 -1.7028 3.4524 2.1205 H 0 0 0 0 0 0 -0.7870 -0.6018 3.2821 H 0 0 0 0 0 0 -1.3822 -2.7240 -2.2319 H 0 0 0 0 0 0 -2.3823 -2.1695 -0.9080 H 0 0 0 0 0 0 5.5475 0.0617 -2.1044 H 0 0 0 0 0 0 6.0457 -1.3908 -1.0883 H 0 0 0 0 0 0 4.6207 -1.4707 -3.8405 H 0 0 0 0 0 0 5.1190 -2.9232 -2.8243 H 0 0 0 0 0 0 -3.4104 2.3715 3.2988 H 0 0 0 0 0 0 -3.3468 -0.3803 3.2309 H 0 0 0 0 0 0 -3.8042 0.9474 0.6187 H 0 0 0 0 0 0 -4.3136 2.6203 0.9327 H 0 0 0 0 0 0 -6.0582 1.1140 1.3142 H 0 0 0 0 0 0 1 2 4 0 0 0 1 3 4 0 0 0 1 4 4 0 0 0 2 5 4 0 0 0 2 6 4 0 0 0 3 7 1 0 0 0 3 8 4 0 0 0 4 9 4 0 0 0 5 10 1 0 0 0 6 11 4 0 0 0 7 12 1 0 0 0 10 13 1 0 0 0 10 14 1 0 0 0 11 15 1 0 0 0 12 16 1 0 0 0 12 17 1 0 0 0 13 18 1 0 0 0 14 19 2 0 0 0 18 20 1 0 0 0 20 21 1 0 0 0 5 9 4 0 0 0 8 11 4 0 0 0 16 17 1 0 0 0 18 19 1 0 0 0 7 22 1 0 0 0 9 23 1 0 0 0 10 24 1 0 0 0 12 25 1 0 0 0 13 26 1 0 0 0 13 27 1 0 0 0 14 28 1 0 0 0 15 29 1 0 0 0 15 30 1 0 0 0 16 31 1 0 0 0 16 32 1 0 0 0 17 33 1 0 0 0 17 34 1 0 0 0 18 35 1 0 0 0 19 36 1 0 0 0 20 37 1 0 0 0 20 38 1 0 0 0 21 39 1 0 0 0 M END $$$$