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The Datafile PD-CD 5
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water_bo
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1996-06-15
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8KB
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99 lines
ATOM 1 OH OSP3 1 4.963 5.049 4.998 1.00 0.00
ATOM 2 HH1 OSP3 1 5.891 5.062 5.244 1.00 0.00
ATOM 3 HH2 OSP3 1 4.700 4.150 4.787 1.00 0.00
TER
ATOM 4 O1 WTR 1 1.837 6.961 2.338 1.00 0.00
ATOM 5 H11 WTR 1 1.851 7.490 3.185 1.00 0.00
ATOM 6 H12 WTR 1 1.123 6.297 2.596 1.00 0.00
ATOM 7 O1 WTR 2 2.932 4.249 1.915 1.00 0.00
ATOM 8 H11 WTR 2 2.434 4.594 1.127 1.00 0.00
ATOM 9 H12 WTR 2 2.319 3.625 2.379 1.00 0.00
ATOM 10 O1 WTR 3 9.448 3.344 0.986 1.00 0.00
ATOM 11 H11 WTR 3 8.614 3.620 0.658 1.00 0.00
ATOM 12 H12 WTR 3 9.177 2.971 1.845 1.00 0.00
ATOM 13 O1 WTR 4 6.586 4.489 0.832 1.00 0.00
ATOM 14 H11 WTR 4 6.655 4.640 1.749 1.00 0.00
ATOM 15 H12 WTR 4 5.924 5.141 0.641 1.00 0.00
ATOM 16 O1 WTR 5 8.278 6.007 6.740 1.00 0.00
ATOM 17 H11 WTR 5 8.928 5.299 6.557 1.00 0.00
ATOM 18 H12 WTR 5 8.709 6.668 6.101 1.00 0.00
ATOM 19 O1 WTR 6 0.734 2.367 0.041 1.00 0.00
ATOM 20 H11 WTR 6 0.813 2.257 1.025 1.00 0.00
ATOM 21 H12 WTR 6 0.903 1.453 -0.246 1.00 0.00
ATOM 22 O1 WTR 7 5.160 2.025 1.814 1.00 0.00
ATOM 23 H11 WTR 7 4.447 2.553 2.191 1.00 0.00
ATOM 24 H12 WTR 7 5.892 2.380 2.335 1.00 0.00
ATOM 25 O1 WTR 8 6.619 5.873 3.506 1.00 0.00
ATOM 26 H11 WTR 8 7.381 6.341 3.705 1.00 0.00
ATOM 27 H12 WTR 8 6.111 6.555 2.916 1.00 0.00
ATOM 28 O1 WTR 9 7.731 9.341 3.031 1.00 0.00
ATOM 29 H11 WTR 9 7.080 10.046 3.317 1.00 0.00
ATOM 30 H12 WTR 9 7.166 8.995 2.254 1.00 0.00
ATOM 31 O1 WTR 10 9.123 1.113 3.061 1.00 0.00
ATOM 32 H11 WTR 10 8.505 1.669 3.500 1.00 0.00
ATOM 33 H12 WTR 10 9.626 0.846 3.874 1.00 0.00
ATOM 34 O1 WTR 11 3.707 5.141 7.741 1.00 0.00
ATOM 35 H11 WTR 11 3.879 6.090 8.021 1.00 0.00
ATOM 36 H12 WTR 11 3.961 5.089 6.784 1.00 0.00
ATOM 37 O1 WTR 12 2.836 2.231 5.257 1.00 0.00
ATOM 38 H11 WTR 12 3.136 1.936 6.181 1.00 0.00
ATOM 39 H12 WTR 12 3.256 3.107 5.218 1.00 0.00
ATOM 40 O1 WTR 13 1.022 1.920 3.238 1.00 0.00
ATOM 41 H11 WTR 13 0.290 2.232 3.719 1.00 0.00
ATOM 42 H12 WTR 13 1.675 1.796 3.939 1.00 0.00
ATOM 43 O1 WTR 14 6.775 3.060 3.778 1.00 0.00
ATOM 44 H11 WTR 14 6.798 4.006 3.588 1.00 0.00
ATOM 45 H12 WTR 14 6.981 3.138 4.755 1.00 0.00
ATOM 46 O1 WTR 15 3.837 8.122 7.974 1.00 0.00
ATOM 47 H11 WTR 15 4.761 7.905 8.119 1.00 0.00
ATOM 48 H12 WTR 15 3.835 8.964 7.473 1.00 0.00
ATOM 49 O1 WTR 16 3.885 2.117 8.111 1.00 0.00
ATOM 50 H11 WTR 16 3.821 3.047 7.852 1.00 0.00
ATOM 51 H12 WTR 16 4.321 2.346 9.046 1.00 0.00
ATOM 52 O1 WTR 17 3.840 4.583 4.800 1.00 0.00
ATOM 53 H11 WTR 17 3.248 5.334 4.500 1.00 0.00
ATOM 54 H12 WTR 17 4.495 4.628 4.113 1.00 0.00
ATOM 55 O1 WTR 18 8.183 9.469 7.699 1.00 0.00
ATOM 56 H11 WTR 18 7.756 9.926 6.956 1.00 0.00
ATOM 57 H12 WTR 18 8.992 9.237 7.159 1.00 0.00
ATOM 58 O1 WTR 19 6.457 7.227 8.301 1.00 0.00
ATOM 59 H11 WTR 19 7.083 7.944 8.057 1.00 0.00
ATOM 60 H12 WTR 19 6.842 6.601 7.652 1.00 0.00
ATOM 61 O1 WTR 20 1.123 6.396 5.607 1.00 0.00
ATOM 62 H11 WTR 20 1.333 7.292 5.302 1.00 0.00
ATOM 63 H12 WTR 20 1.034 6.483 6.557 1.00 0.00
ATOM 64 O1 WTR 21 6.912 3.352 6.468 1.00 0.00
ATOM 65 H11 WTR 21 6.830 4.380 6.501 1.00 0.00
ATOM 66 H12 WTR 21 7.511 3.270 7.316 1.00 0.00
ATOM 67 O1 WTR 22 5.536 0.885 6.437 1.00 0.00
ATOM 68 H11 WTR 22 6.151 1.679 6.573 1.00 0.00
ATOM 69 H12 WTR 22 4.777 1.254 7.013 1.00 0.00
ATOM 70 O1 WTR 23 2.206 8.984 4.447 1.00 0.00
ATOM 71 H11 WTR 23 1.719 9.694 3.948 1.00 0.00
ATOM 72 H12 WTR 23 2.705 9.462 5.045 1.00 0.00
ATOM 73 O1 WTR 24 2.148 0.445 9.548 1.00 0.00
ATOM 74 H11 WTR 24 2.452 0.928 10.382 1.00 0.00
ATOM 75 H12 WTR 24 2.765 0.783 8.854 1.00 0.00
ATOM 76 O1 WTR 25 1.259 7.797 7.988 1.00 0.00
ATOM 77 H11 WTR 25 0.903 8.601 8.423 1.00 0.00
ATOM 78 H12 WTR 25 2.243 7.933 7.991 1.00 0.00
ATOM 79 O1 WTR 26 1.381 5.193 9.590 1.00 0.00
ATOM 80 H11 WTR 26 0.599 4.874 9.101 1.00 0.00
ATOM 81 H12 WTR 26 2.010 5.059 8.889 1.00 0.00
ATOM 82 O1 WTR 27 8.104 3.226 8.860 1.00 0.00
ATOM 83 H11 WTR 27 8.744 3.692 9.406 1.00 0.00
ATOM 84 H12 WTR 27 8.462 2.326 9.017 1.00 0.00
ATOM 85 O1 WTR 28 9.310 0.801 8.905 1.00 0.00
ATOM 86 H11 WTR 28 9.075 -0.013 8.473 1.00 0.00
ATOM 87 H12 WTR 28 9.499 0.423 9.784 1.00 0.00
ATOM 88 O1 WTR 29 8.670 6.351 0.090 1.00 0.00
ATOM 89 H11 WTR 29 7.813 5.965 0.248 1.00 0.00
ATOM 90 H12 WTR 29 8.403 6.914 -0.683 1.00 0.00
ATOM 91 O1 WTR 30 5.610 7.769 1.815 1.00 0.00
ATOM 92 H11 WTR 30 5.090 8.542 1.728 1.00 0.00
ATOM 93 H12 WTR 30 5.548 7.529 0.873 1.00 0.00
ATOM 94 O1 WTR 31 9.407 7.631 4.411 1.00 0.00
ATOM 95 H11 WTR 31 9.033 8.425 3.933 1.00 0.00
ATOM 96 H12 WTR 31 10.176 7.585 3.784 1.00 0.00
TER