# Map file for MPD amine - TMA carboxyl reaction
# Pre-reaction: 37 atoms → Post-reaction: 34 atoms
# Reaction: NA1 (atom 7) + CC1 (atom 18) → NA2-CC2 amide bond + H2O
# Deleted: HA (atom 15), OH (atom 25), HO (atom 34)

N equivalences = 37
N edgeIDs = 1
N deleteIDs = 3
N createIDs = 1
N chiralIDs = 0
N constraints = 1

EdgeIDs
7 18    # Edge between NA1 (atom 7) and CC1 (atom 18) - the new amide bond

CreateIDs
7 18 1    # Create bond between atoms 7 and 18 with bond type 1 (amide bond)

DeleteIDs
15 25 34    # HA from NA1, OH and HO from CC1 carboxyl

BondingIDs
7 18   # NA1 (atom 7) bonds with CC1 (atom 18)

Equivalences
1   1    # NA1 → NA1 (type 11)
2   2    # CM1 → CM1 (type 2)
3   3    # CM3 → CM3 (type 4)
4   4    # CM2 → CM2 (type 3)
5   5    # CM3 → CM3 (type 4)
6   6    # CM1 → CM1 (type 2)
7   7    # NA1 → NA2 (type 11, forms amide bond)
8   22   # CM2 → CM2 (type 3)
9   23   # HA → HA (type 7)
10  24   # HA → HA (type 7)
11  25   # HM → HM (type 8)
12  26   # HM → HM (type 8)
13  27   # HM → HM (type 8)
14  28   # HA → HA (type 7)
15  0    # HA → DELETED (from reacting NA1)
16  34   # HM → HM (type 8)
17  9    # OC1 → OC2 (type 12)
18  8    # CC1 → CC2 (type 1, forms amide bond)
19  30   # OH → HO (type 9)
20  10   # CT1 → CT1 (type 5)
21  11   # CT2 → CT2 (type 6)
22  12   # CT1 → CT1 (type 5)
23  13   # CC1 → CC1 (type 1)
24  14   # OC1 → OC1 (type 12)
25  0    # OH → DELETED (from reacting CC1)
26  16   # CT2 → CT2 (type 6)
27  17   # CT1 → CT1 (type 5)
28  18   # CC1 → CC1 (type 1)
29  19   # OC1 → OC1 (type 12)
30  20   # OH → OH (type 13)
31  21   # CT2 → CT2 (type 6)
32  15   # HO → OH (type 13, becomes OH after H loss)
33  29   # HT → HT (type 10)
34  0    # HO → DELETED (from reacting CC1)
35  31   # HT → HT (type 10)
36  32   # HO → HO (type 9)
37  33   # HT → HT (type 10)

Constraint 0
Dmin 1.2
Dmax 1.5