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[SOLVENT1 SOLVENT1 HBOND ANGLE] 4 35



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34 [SOLVENT1 SOLVENT1 HBOND ANGLE] 4

35 1 2

36 1 2 1 145 180.0

37 1 2

38 1 3 1 145 180.0

39 2 1

40 1 2 1 145 180.0

41 2 1

42 1 3 1 145 180.0

43 [GRAPH SOLVENT2 SOLVENT2] 1

44 [SOLVENT2 SOLVENT2 HBOND DISTANCE] 2

45 5 6 0.00 2.75

46 6 5 0.00 2.75

47 [SOLVENT2 SOLVENT2 HBOND ANGLE] 2

48 1 2

49 5 6 5 125 180.0

50 2 1

51 5 6 5 125 180.0

52 [GRAPH SOLVENT3 SOLVENT3] 1

53 [SOLVENT3 SOLVENT3 HBOND DISTANCE] 2

54 3 4 0.00 2.95

55 4 3 0.00 2.95

56 [SOLVENT3 SOLVENT3 HBOND ANGLE] 2

57 1 2

58 3 4 3 125 180.0

59 2 1

60 3 4 3 125 180.0


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