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WATER27.dat
30 lines (30 loc) · 1.89 KB
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WATER27.dat
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1 H2O H3Op OHm H2O H2O8s4 -1 0 0 1 0 0.0
2 H2O2 H3Op OHm H2O H2O8s4 -1 0 0 2 0 5.01
3 H2O3 H3Op OHm H2O H2O8s4 -1 0 0 3 0 15.8
4 H2O4 H3Op OHm H2O H2O8s4 -1 0 0 4 0 27.4
5 H2O5 H3Op OHm H2O H2O8s4 -1 0 0 5 0 35.9
6 H2O6 H3Op OHm H2O H2O8s4 -1 0 0 6 0 46.0
7 H2O6c H3Op OHm H2O H2O8s4 -1 0 0 6 0 45.8
8 H2O6b H3Op OHm H2O H2O8s4 -1 0 0 6 0 45.3
9 H2O6c2 H3Op OHm H2O H2O8s4 -1 0 0 6 0 44.3
10 H2O8d2d H3Op OHm H2O H2O8s4 -1 0 0 8 0 72.6
11 H2O8s4 H3Op OHm H2O H2O8s4 -1 0 0 8 0 72.6
12 H2O20 H3Op OHm H2O H2O8s4 -1 0 0 20 0 200.1
13 H2O20fc H3Op OHm H2O H2O8s4 -1 0 0 20 0 212.6
14 H2O20fs H3Op OHm H2O H2O8s4 -1 0 0 20 0 215.0
15 H2O20es H3Op OHm H2O H2O8s4 -1 0 0 20 0 217.9
16 H3Op H3Op OHm H2O H2O8s4 -1 1 0 0 0 0.0
17 H3OpH2O H3Op OHm H2O H2O8s4 -1 1 0 1 0 33.5
18 H3OpH2O2 H3Op OHm H2O H2O8s4 -1 1 0 2 0 56.9
19 H3OpH2O3 H3Op OHm H2O H2O8s4 -1 1 0 3 0 76.5
20 H3OpH2O63d H3Op OHm H2O H2O8s4 -1 1 0 6 0 117.8
21 H3OpH2O62d H3Op OHm H2O H2O8s4 -1 1 0 6 0 114.9
22 OHm H3Op OHm H2O H2O8s4 -1 0 1 0 0 0.0
23 OHmH2O H3Op OHm H2O H2O8s4 -1 0 1 1 0 26.6
24 OHmH2O2 H3Op OHm H2O H2O8s4 -1 0 1 2 0 48.4
25 OHmH2O3 H3Op OHm H2O H2O8s4 -1 0 1 3 0 67.6
26 OHmH2O4c4 H3Op OHm H2O H2O8s4 -1 0 1 4 0 84.8
27 OHmH2O4cs H3Op OHm H2O H2O8s4 -1 0 1 4 0 84.8
28 OHmH2O5 H3Op OHm H2O H2O8s4 -1 0 1 5 0 100.7
29 OHmH2O6 H3Op OHm H2O H2O8s4 -1 0 1 6 0 115.7
30 H3OpH2O6OHm H3Op OHm H2O H2O8s4 1 0 0 0 -1 28.5