ACYCLOVIR National University of Singapore, Department of Computational Science 27 28 0 0 0 0 0 0 0 0999 V2000 -0.5390 -3.6170 -1.0950 O 0 0 0 0 0 0 0 0 0 1 0.6810 -3.4040 -0.3040 C 0 0 0 0 0 0 0 0 0 2 0.7340 -1.9900 0.2940 C 0 0 0 0 0 0 0 0 0 3 1.9580 -1.8430 1.0940 O 0 0 0 0 0 0 0 0 0 4 1.9870 -0.5060 1.7050 C 0 0 0 0 0 0 0 0 0 5 1.9210 0.4940 0.6710 N 0 0 0 0 0 0 0 0 0 6 2.9830 0.9620 -0.0400 C 0 0 0 0 0 0 0 0 0 7 2.3890 1.8500 -0.8470 N 0 0 0 0 0 0 0 0 0 8 0.9800 2.0200 -0.7330 C 0 0 0 0 0 0 0 0 0 9 -0.0350 2.7100 -1.2460 C 0 0 0 0 0 0 0 0 0 10 0.2000 3.5890 -2.2160 O 0 0 0 0 0 0 0 0 0 11 -1.3000 2.5180 -0.7830 N 0 0 0 0 0 0 0 0 0 12 -1.5230 1.6210 0.2030 C 0 0 0 0 0 0 0 0 0 13 -2.8760 1.3380 0.7800 N 0 0 0 0 0 0 0 0 0 14 -0.4970 0.9190 0.7260 N 0 0 0 0 0 0 0 0 0 15 0.7560 1.0680 0.3100 C 0 0 0 0 0 0 0 0 0 16 -0.5410 -3.0250 -1.8390 H 0 0 0 0 0 0 0 0 0 17 1.5760 -3.5690 -0.9510 H 0 0 0 0 0 0 0 0 0 18 -0.1570 -1.8270 0.9460 H 0 0 0 0 0 0 0 0 0 20 0.7120 -1.2360 -0.5290 H 0 0 0 0 0 0 0 0 0 21 2.9190 -0.3840 2.2750 H 0 0 0 0 0 0 0 0 0 22 1.1260 -0.3930 2.3810 H 0 0 0 0 0 0 0 0 0 23 4.0290 0.6710 0.0480 H 0 0 0 0 0 0 0 0 0 24 -2.0510 3.0460 -1.1810 H 0 0 0 0 0 0 0 0 0 25 -2.8790 1.5450 1.7990 H 0 0 0 0 0 0 0 0 0 26 0.7120 -4.1420 0.5340 H 0 0 0 0 0 0 0 0 0 19 -3.1160 0.3340 0.6490 H 0 0 0 0 0 0 0 0 0 27 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 6 5 1 0 0 0 6 7 4 0 0 0 7 8 4 0 0 0 8 9 4 0 0 0 10 11 1 0 0 0 12 10 4 0 0 0 13 12 4 0 0 0 13 14 1 0 0 0 15 13 4 0 0 0 16 15 4 0 0 0 6 16 4 0 0 0 9 10 4 0 0 0 9 16 4 0 0 0 1 17 1 0 0 0 2 18 1 0 0 0 14 25 1 0 0 0 12 24 1 0 0 0 7 23 1 0 0 0 5 22 1 0 0 0 5 21 1 0 0 0 3 20 1 0 0 0 3 19 1 0 0 0 2 26 1 0 0 0 14 27 1 0 0 0 M END