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mjohnson541nyee
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relabeled specific C atoms to Cs to meet test requirements
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Lines changed: 3 additions & 3 deletions

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input/kinetics/families/ketoenol/groups.py

Lines changed: 3 additions & 3 deletions
Original file line numberDiff line numberDiff line change
@@ -168,7 +168,7 @@
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group =
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"""
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1 *2 C u0 {2,S}
171-
2 C u0 {1,S} {3,S} {4,S} {5,S}
171+
2 Cs u0 {1,S} {3,S} {4,S} {5,S}
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3 H u0 {2,S}
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4 H u0 {2,S}
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5 H u0 {2,S}
@@ -194,8 +194,8 @@
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group =
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"""
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1 *2 C u0 {2,S}
197-
2 C u0 {1,S} {3,S} {4,S} {5,S}
198-
3 C u0 {2,S} {6,S} {7,S} {8,S}
197+
2 Cs u0 {1,S} {3,S} {4,S} {5,S}
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3 Cs u0 {2,S} {6,S} {7,S} {8,S}
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4 H u0 {2,S}
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5 H u0 {2,S}
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6 H u0 {3,S}

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