[Bug] Prediction API 500 Error on Molecules Containing Adamantane Substructure

[gaozeyun]

When attempting to predict NMR spectrum for molecules containing an adamantane cage/substructure (adamantane derivatives), the server consistently returns a 500 Internal Server Error.
The same structures can be successfully predicted in MestReNova, confirming the molecular structures are valid.

Error Message:
{
"statusCode": 500,
"error": "Internal Server Error",
"message": "Cannot read properties of undefined (reading 'length')"
}

Molecular information:

SMILES: O=C([O-])C1=C(F)C(F)=C(OC(=O)C23CC4CC(CC(OC(=O)C5=CC(I)=CC(I)=C5I)(C4)C2)C3)C(F)=C1F

SDF:

Untitled Document-1
ChemDraw04012613512D

38 42 0 0 0 0 0 0 0 0999 V2000
3.4766 -2.9566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8891 -2.2421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7141 -2.2421 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
3.4766 -1.5276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6516 -1.5276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2391 -2.2421 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.2391 -0.8132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4141 -0.8132 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.6516 -0.0987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2391 0.6158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4141 0.6158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0016 -0.0987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0016 1.3302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6905 1.7456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6853 2.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9913 2.9566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2872 2.5677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4273 2.1552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4273 1.3302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1418 0.9177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8563 1.3302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8563 2.1552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5707 0.9177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2852 1.3302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9997 0.9177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7141 1.3302 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0
-3.9997 0.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2852 -0.3198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2852 -1.1448 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0
-2.5707 0.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8563 -0.3198 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0
0.4300 2.2848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2872 0.9177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0016 2.1552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4766 -0.0987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8891 0.6158 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
3.8891 -0.8132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7141 -0.8132 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
2 4 1 0
4 5 2 0
5 6 1 0
5 7 1 0
7 8 1 0
7 9 2 0
9 10 1 0
10 11 1 0
11 12 2 0
11 13 1 0
13 14 1 0
14 15 1 0
15 16 1 0
16 17 1 0
17 18 1 0
18 19 1 0
19 20 1 0
20 21 1 0
21 22 2 0
21 23 1 0
23 24 2 0
24 25 1 0
25 26 1 0
25 27 2 0
27 28 1 0
28 29 1 0
28 30 2 0
23 30 1 0
30 31 1 0
19 32 1 0
15 32 1 0
19 33 1 0
13 33 1 0
17 34 1 0
13 34 1 0
9 35 1 0
35 36 1 0
35 37 2 0
4 37 1 0
37 38 1 0
M CHG 1 3 -1
M END
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