-
Notifications
You must be signed in to change notification settings - Fork 4
/
Copy pathgrow1000_noscale.out
94 lines (88 loc) · 3.18 KB
/
grow1000_noscale.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
92
93
94
mean number of non-H atoms 23.217 +/- 4.101696112585621
Probability of ring atoms 0.5940043933324719
Probability of non-ring atoms 0.4059956066675281
Probability of fused-ring atoms 0.0120601283542232
Probability of [R]-[R]-[R] 0.4623586079991341
Probability of [R]=[R]-[R] 0.5376413920008659
[#6R]=[#6R]-[#6R] 0.4117107888068151
[#6R]-[#6R]-[#6R] 0.23966140076562248
[#6R]-[#6R]-[#7R] 0.0826548767994824
[#6R]-[#7R]-[#6R] 0.06383781743678223
[#6R]=[#6R]-[#7R] 0.05758343667439478
[#7R]=[#6R]-[#6R] 0.019032727664851458
[#6R]-[#6R]-[#8R] 0.01736129832317895
[#6R]=[#7R]-[#6R] 0.01639079096349814
[#6R]-[#8R]-[#6R] 0.012616595675850542
[#6R]=[#6R]-[#8R] 0.011268668787404972
[#6R]-[#7R]-[#7R] 0.010352078503261983
[#6R]=[#6R]-[#16R] 0.01029816142772416
[#6R]-[#6R]-[#16R] 0.010244244352186337
[#6R]-[#16R]-[#6R] 0.009974658974497223
[#7R]-[#6R]-[#7R] 0.008141478406211248
[#7R]=[#6R]-[#7R] 0.003720278212109775
[#6R]=[#7R]-[#7R] 0.0035585269854963067
[#7R]-[#6R]-[#8R] 0.0033967757588828384
[#7R]-[#6R]-[#16R] 0.0023723513236642044
[#6R]-[#8R]-[#7R] 0.0008087561330673424
[#7R]-[#7R]-[#7R] 0.0007548390575295195
[#6R]-[#7R]-[#8R] 0.0006470049064538739
[#7R]=[#6R]-[#8R] 0.0006470049064538739
[#7R]=[#6R]-[#16R] 0.00048525367984040543
[#8R]-[#6R]-[#16R] 0.00048525367984040543
[#7R]=[#7R]-[#6R] 0.00043133660430258263
[#16R]-[#6R]-[#16R] 0.00032350245322693697
[#6R]-[#16R]-[#7R] 0.0002695853776891141
[#6R]=[#7R]-[#8R] 0.00021566830215129131
[#6R]-[#7R]-[#16R] 0.00021566830215129131
[#8R]-[#6R]-[#8R] 0.00021566830215129131
[#7R]=[#7R]-[#7R] 0.00016175122661346849
[#6R]=[#7R]-[#16R] 5.391707553782283e-05
[#7R]-[#7R]-[#8R] 5.391707553782283e-05
[#7R]=[#7R]-[#8R] 5.391707553782283e-05
[#6]-[#6;!R] 0.3679162337143314
[#6]-[#7;!R] 0.17968187994564783
[#7]-[#6;!R] 0.10846455119494844
[#6]-[#8;!R] 0.10566701302853489
[#6]=[#8;!R] 0.07241627367916234
[#8]-[#6;!R] 0.04244265046758852
[#6]-[#16;!R] 0.026776436735672607
[#6]-[#9;!R] 0.02262009431700104
[#6]-[#17;!R] 0.016065862041403565
[#16]-[#6;!R] 0.009671489089601151
[#6]=[#6;!R] 0.007992966189753018
[#16]=[#8;!R] 0.00495563903764687
[#6]-[#35;!R] 0.00455599072815922
[#7]-[#16;!R] 0.0043961314043641595
[#6]#[#7;!R] 0.004156342418671569
[#16]-[#7;!R] 0.003596834785388858
[#7]-[#7;!R] 0.0031971864759012068
[#7]-[#8;!R] 0.002397889856925905
[#6]=[#16;!R] 0.002317960195028375
[#6]=[#7;!R] 0.002238030533130845
[#8]-[#7;!R] 0.001918311885540724
[#7]=[#6;!R] 0.0017584525617456638
[#16]=[#6;!R] 0.0016785228998481337
[#6]#[#6;!R] 0.0015985932379506034
[#7]=[#8;!R] 0.0010390856046678923
[#6]-[#53;!R] 0.0003197186475901207
[#8]-[#16;!R] 7.992966189753018e-05
[#16]-[#8;!R] 7.992966189753018e-05
[*]1-[*]-[*]-1 104
[*]1-[*]-[*]-[*]-1 33
[*]1=[*]-[*]-[*]-1 1
[*]1-[*]-[*]-[*]-[*]-1 15
[*]1=[*]-[*]-[*]-[*]-1 396
[*]1=[*]-[*]=[*]-[*]-1 132
[*]1-[*]-[*]-[*]-[*]-[*]-1 64
[*]1=[*]-[*]-[*]-[*]-[*]-1 363
[*]1=[*]-[*]=[*]-[*]-[*]-1 591
[*]1=[*]-[*]-[*]=[*]-[*]-1 321
[*]1=[*]-[*]=[*]-[*]=[*]-1 479
[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 2499
[Finished in 13.9s]