-
Notifications
You must be signed in to change notification settings - Fork 4
/
Copy pathgrow1000_scale80.out
91 lines (85 loc) · 3.08 KB
/
grow1000_scale80.out
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
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
mean number of non-H atoms 22.51 +/- 4.048197129587441
Probability of ring atoms 0.558507330075522
Probability of non-ring atoms 0.441492669924478
Probability of fused-ring atoms 0.007552199022656597
Probability of [R]-[R]-[R] 0.33875305623471885
Probability of [R]=[R]-[R] 0.6612469437652811
[#6R]=[#6R]-[#6R] 0.5440360821600536
[#6R]-[#6R]-[#6R] 0.2001584689461815
[#6R]-[#6R]-[#7R] 0.052782348997379165
[#6R]=[#6R]-[#7R] 0.047723532638507954
[#6R]-[#7R]-[#6R] 0.04156762357530323
[#7R]=[#6R]-[#6R] 0.022490400438837082
[#6R]=[#7R]-[#6R] 0.02041811421954044
[#6R]-[#6R]-[#8R] 0.011946120558298287
[#6R]-[#8R]-[#6R] 0.009081489608094106
[#6R]=[#6R]-[#8R] 0.008411044066556957
[#6R]=[#6R]-[#16R] 0.0078624977143902
[#6R]-[#16R]-[#6R] 0.005912110684463948
[#6R]-[#6R]-[#16R] 0.005119765953556409
[#6R]-[#7R]-[#7R] 0.00457121960138965
[#7R]-[#6R]-[#7R] 0.003961723654537697
[#7R]=[#6R]-[#7R] 0.0031084293289449626
[#6R]=[#7R]-[#7R] 0.002255135003352228
[#7R]-[#6R]-[#8R] 0.0021941854086670325
[#7R]=[#7R]-[#6R] 0.0013408910830742975
[#7R]-[#6R]-[#16R] 0.0007313951362223441
[#6R]-[#8R]-[#7R] 0.0006704455415371488
[#7R]=[#6R]-[#8R] 0.0006704455415371488
[#7R]=[#6R]-[#16R] 0.0006704455415371488
[#6R]-[#7R]-[#16R] 0.00048759675748156274
[#6R]-[#7R]-[#8R] 0.0004266471627963674
[#6R]-[#16R]-[#7R] 0.00036569756811117204
[#6R]=[#7R]-[#8R] 0.00024379837874078137
[#8R]-[#6R]-[#8R] 0.00024379837874078137
[#7R]-[#7R]-[#7R] 0.00018284878405558602
[#8R]-[#6R]-[#16R] 0.00018284878405558602
[#7R]=[#7R]-[#7R] 6.094959468519534e-05
[#7R]-[#7R]-[#8R] 6.094959468519534e-05
[#7R]=[#7R]-[#16R] 6.094959468519534e-05
[#6]-[#6;!R] 0.3735712705552688
[#6]-[#7;!R] 0.18907160238920434
[#7]-[#6;!R] 0.10367966964088195
[#6]-[#8;!R] 0.10065629378364427
[#6]=[#8;!R] 0.06821030897426443
[#8]-[#6;!R] 0.043580856868962466
[#6]-[#16;!R] 0.025071897352702602
[#6]-[#9;!R] 0.0237445616105007
[#6]-[#17;!R] 0.015485583659022197
[#16]-[#6;!R] 0.010839908561315538
[#6]=[#6;!R] 0.008922645822579456
[#6]-[#35;!R] 0.0042032298503060245
[#16]=[#8;!R] 0.00405574810117248
[#7]-[#16;!R] 0.003834525477472163
[#6]#[#7;!R] 0.003465821104638301
[#16]-[#7;!R] 0.0033183393555047563
[#7]-[#7;!R] 0.002875894108104122
[#7]-[#8;!R] 0.002654671484403805
[#8]-[#7;!R] 0.0025071897352702604
[#6]#[#6;!R] 0.0023597079861367156
[#6]=[#7;!R] 0.002064744487869626
[#7]=[#6;!R] 0.0017697809896025367
[#6]=[#16;!R] 0.0015485583659022196
[#16]=[#6;!R] 0.0013273357422019026
[#7]=[#8;!R] 0.0009586313693680408
[#6]-[#53;!R] 7.374087456677236e-05
[#8]-[#16;!R] 7.374087456677236e-05
[#16]-[#8;!R] 7.374087456677236e-05
[*]1-[*]-[*]-1 57
[*]1-[*]-[*]-[*]-1 10
[*]1-[*]-[*]-[*]-[*]-1 4
[*]1=[*]-[*]-[*]-[*]-1 408
[*]1=[*]-[*]=[*]-[*]-1 221
[*]1-[*]-[*]-[*]-[*]-[*]-1 2
[*]1=[*]-[*]-[*]-[*]-[*]-1 104
[*]1=[*]-[*]=[*]-[*]-[*]-1 405
[*]1=[*]-[*]-[*]=[*]-[*]-1 202
[*]1=[*]-[*]=[*]-[*]=[*]-1 850
[r;!r3;!r4;!r5;!r6;!r8;!r9;!r10;!r11;!r12] 0
[r;!r3;!r4;!r5;!r6;!r7;!r9;!r10;!r11;!r12] 0
[r;!r3;!r4;!r5;!r6;!r7;!r8;!r10;!r11;!r12] 0
[r;!r3;!r4;!r5;!r6;!r7;!r8;!r9;!r11;!r12] 0
[r;!r3;!r4;!r5;!r6;!r7;!r8;!r9;!r10;!r12] 0
[r;!r3;!r4;!r5;!r6;!r7;!r8;!r9;!r10;!r11] 0
number of rings 2263
[Finished in 13.7s]