473 lines
No EOL
9.1 KiB
JSON
473 lines
No EOL
9.1 KiB
JSON
{
|
|
"contents": [
|
|
{
|
|
"type": "atom",
|
|
"index": 0,
|
|
"x": 3.4654,
|
|
"y": 2.9979
|
|
},
|
|
{
|
|
"type": "atom",
|
|
"index": 1,
|
|
"x": 3.4654,
|
|
"y": 3.9979
|
|
},
|
|
{
|
|
"type": "atom",
|
|
"index": 2,
|
|
"x": 4.3315,
|
|
"y": 2.4979
|
|
},
|
|
{
|
|
"type": "atom",
|
|
"index": 3,
|
|
"x": 2.5994,
|
|
"y": 2.4979
|
|
},
|
|
{
|
|
"type": "atom",
|
|
"index": 4,
|
|
"x": 5.1952,
|
|
"y": 0.9986
|
|
},
|
|
{
|
|
"type": "atom",
|
|
"index": 5,
|
|
"x": 4.3311,
|
|
"y": 1.4972
|
|
},
|
|
{
|
|
"type": "atom",
|
|
"index": 6,
|
|
"x": 6.0624,
|
|
"y": 1.4985
|
|
},
|
|
{
|
|
"type": "atom",
|
|
"index": 7,
|
|
"x": 5.2021,
|
|
"y": 2.9998
|
|
},
|
|
{
|
|
"type": "atom",
|
|
"index": 8,
|
|
"x": 6.0649,
|
|
"y": 2.4942
|
|
},
|
|
{
|
|
"type": "atom",
|
|
"index": 9,
|
|
"x": 0.8691,
|
|
"y": 2.4996
|
|
},
|
|
{
|
|
"type": "atom",
|
|
"index": 10,
|
|
"x": 1.733,
|
|
"y": 2.9986
|
|
},
|
|
{
|
|
"type": "atom",
|
|
"index": 11,
|
|
"x": 0.8684,
|
|
"y": 1.4986
|
|
},
|
|
{
|
|
"type": "atom",
|
|
"index": 12,
|
|
"x": 2.5987,
|
|
"y": 1.493
|
|
},
|
|
{
|
|
"type": "atom",
|
|
"index": 13,
|
|
"x": 1.7294,
|
|
"y": 0.9985
|
|
},
|
|
{
|
|
"type": "atom",
|
|
"index": 14,
|
|
"x": 2.5994,
|
|
"y": 4.4979
|
|
},
|
|
{
|
|
"type": "atom",
|
|
"index": 15,
|
|
"x": 2.5994,
|
|
"y": 5.4979
|
|
},
|
|
{
|
|
"type": "atom",
|
|
"index": 16,
|
|
"x": 3.4654,
|
|
"y": 5.9979
|
|
},
|
|
{
|
|
"type": "atom",
|
|
"index": 17,
|
|
"x": 4.3315,
|
|
"y": 5.4979
|
|
},
|
|
{
|
|
"type": "atom",
|
|
"index": 18,
|
|
"x": 4.3315,
|
|
"y": 4.4979
|
|
},
|
|
{
|
|
"type": "atom",
|
|
"element": "N",
|
|
"index": 19,
|
|
"x": 3.4655,
|
|
"y": 6.9979
|
|
},
|
|
{
|
|
"type": "atom",
|
|
"element": "N",
|
|
"index": 20,
|
|
"x": 6.9276,
|
|
"y": 0.9971
|
|
},
|
|
{
|
|
"type": "atom",
|
|
"element": "N",
|
|
"index": 21,
|
|
"x": 0.0016,
|
|
"y": 1.0
|
|
},
|
|
{
|
|
"type": "atom",
|
|
"index": 22,
|
|
"x": 0.0,
|
|
"y": 0.0
|
|
},
|
|
{
|
|
"type": "atom",
|
|
"index": 23,
|
|
"x": -0.8636,
|
|
"y": 1.5014
|
|
},
|
|
{
|
|
"type": "atom",
|
|
"index": 24,
|
|
"x": 2.5994,
|
|
"y": 7.4979
|
|
},
|
|
{
|
|
"type": "atom",
|
|
"index": 25,
|
|
"x": 4.3315,
|
|
"y": 7.4979
|
|
},
|
|
{
|
|
"type": "atom",
|
|
"index": 26,
|
|
"x": 7.7944,
|
|
"y": 1.4957
|
|
},
|
|
{
|
|
"type": "atom",
|
|
"index": 27,
|
|
"x": 6.9259,
|
|
"y": -0.0029
|
|
},
|
|
{
|
|
"sup": "+",
|
|
"atoms": [
|
|
0,
|
|
1,
|
|
2,
|
|
3,
|
|
4,
|
|
5,
|
|
6,
|
|
7,
|
|
8,
|
|
9,
|
|
10,
|
|
11,
|
|
12,
|
|
13,
|
|
14,
|
|
15,
|
|
16,
|
|
17,
|
|
18,
|
|
19,
|
|
20,
|
|
21,
|
|
22,
|
|
23,
|
|
24,
|
|
25,
|
|
26,
|
|
27
|
|
],
|
|
"type": "parens"
|
|
},
|
|
{
|
|
"type": "atom",
|
|
"element": {
|
|
"symbol": "Cl⁻",
|
|
"color": {
|
|
"color": -14684129,
|
|
"optional": true
|
|
},
|
|
"material": "gtceu:chlorine"
|
|
},
|
|
"index": 28,
|
|
"x": -3.1849,
|
|
"y": 3.3734
|
|
},
|
|
{
|
|
"type": "bond",
|
|
"a": 0,
|
|
"b": 1,
|
|
"lines": [
|
|
"solid",
|
|
"solid"
|
|
]
|
|
},
|
|
{
|
|
"type": "bond",
|
|
"a": 0,
|
|
"b": 2,
|
|
"lines": [
|
|
"solid"
|
|
]
|
|
},
|
|
{
|
|
"type": "bond",
|
|
"a": 0,
|
|
"b": 3,
|
|
"lines": [
|
|
"solid"
|
|
]
|
|
},
|
|
{
|
|
"type": "bond",
|
|
"a": 5,
|
|
"b": 2,
|
|
"lines": [
|
|
"solid",
|
|
"solid"
|
|
]
|
|
},
|
|
{
|
|
"type": "bond",
|
|
"a": 2,
|
|
"b": 7,
|
|
"lines": [
|
|
"solid"
|
|
]
|
|
},
|
|
{
|
|
"type": "bond",
|
|
"a": 7,
|
|
"b": 8,
|
|
"lines": [
|
|
"solid",
|
|
"solid"
|
|
]
|
|
},
|
|
{
|
|
"type": "bond",
|
|
"a": 8,
|
|
"b": 6,
|
|
"lines": [
|
|
"solid"
|
|
]
|
|
},
|
|
{
|
|
"type": "bond",
|
|
"a": 6,
|
|
"b": 4,
|
|
"lines": [
|
|
"solid",
|
|
"solid"
|
|
]
|
|
},
|
|
{
|
|
"type": "bond",
|
|
"a": 4,
|
|
"b": 5,
|
|
"lines": [
|
|
"solid"
|
|
]
|
|
},
|
|
{
|
|
"type": "bond",
|
|
"a": 10,
|
|
"b": 3,
|
|
"lines": [
|
|
"solid",
|
|
"solid"
|
|
]
|
|
},
|
|
{
|
|
"type": "bond",
|
|
"a": 3,
|
|
"b": 12,
|
|
"lines": [
|
|
"solid"
|
|
]
|
|
},
|
|
{
|
|
"type": "bond",
|
|
"a": 12,
|
|
"b": 13,
|
|
"lines": [
|
|
"solid",
|
|
"solid"
|
|
]
|
|
},
|
|
{
|
|
"type": "bond",
|
|
"a": 13,
|
|
"b": 11,
|
|
"lines": [
|
|
"solid"
|
|
]
|
|
},
|
|
{
|
|
"type": "bond",
|
|
"a": 11,
|
|
"b": 9,
|
|
"lines": [
|
|
"solid",
|
|
"solid"
|
|
]
|
|
},
|
|
{
|
|
"type": "bond",
|
|
"a": 9,
|
|
"b": 10,
|
|
"lines": [
|
|
"solid"
|
|
]
|
|
},
|
|
{
|
|
"type": "bond",
|
|
"a": 18,
|
|
"b": 1,
|
|
"lines": [
|
|
"solid"
|
|
]
|
|
},
|
|
{
|
|
"type": "bond",
|
|
"a": 1,
|
|
"b": 14,
|
|
"lines": [
|
|
"solid"
|
|
]
|
|
},
|
|
{
|
|
"type": "bond",
|
|
"a": 14,
|
|
"b": 15,
|
|
"lines": [
|
|
"solid",
|
|
"solid"
|
|
]
|
|
},
|
|
{
|
|
"type": "bond",
|
|
"a": 15,
|
|
"b": 16,
|
|
"lines": [
|
|
"solid"
|
|
]
|
|
},
|
|
{
|
|
"type": "bond",
|
|
"a": 16,
|
|
"b": 17,
|
|
"lines": [
|
|
"solid"
|
|
]
|
|
},
|
|
{
|
|
"type": "bond",
|
|
"a": 17,
|
|
"b": 18,
|
|
"lines": [
|
|
"solid",
|
|
"solid"
|
|
]
|
|
},
|
|
{
|
|
"type": "bond",
|
|
"a": 16,
|
|
"b": 19,
|
|
"lines": [
|
|
"solid",
|
|
"solid"
|
|
]
|
|
},
|
|
{
|
|
"type": "bond",
|
|
"a": 6,
|
|
"b": 20,
|
|
"lines": [
|
|
"solid"
|
|
]
|
|
},
|
|
{
|
|
"type": "bond",
|
|
"a": 11,
|
|
"b": 21,
|
|
"lines": [
|
|
"solid"
|
|
]
|
|
},
|
|
{
|
|
"type": "bond",
|
|
"a": 21,
|
|
"b": 22,
|
|
"lines": [
|
|
"solid"
|
|
]
|
|
},
|
|
{
|
|
"type": "bond",
|
|
"a": 21,
|
|
"b": 23,
|
|
"lines": [
|
|
"solid"
|
|
]
|
|
},
|
|
{
|
|
"type": "bond",
|
|
"a": 19,
|
|
"b": 24,
|
|
"lines": [
|
|
"solid"
|
|
]
|
|
},
|
|
{
|
|
"type": "bond",
|
|
"a": 19,
|
|
"b": 25,
|
|
"lines": [
|
|
"solid"
|
|
]
|
|
},
|
|
{
|
|
"type": "bond",
|
|
"a": 20,
|
|
"b": 26,
|
|
"lines": [
|
|
"solid"
|
|
]
|
|
},
|
|
{
|
|
"type": "bond",
|
|
"a": 20,
|
|
"b": 27,
|
|
"lines": [
|
|
"solid"
|
|
]
|
|
}
|
|
]
|
|
} |