Table 3.

(a) Rotatable bond distribution in the rotamer library, (b) conformation statistics in the rotamer library

Number of rotatable bonds	Number of fragments
0	47,205
1	38,616
2	31,225
3	20,500
4	15,221
5	13,665
6	14,014
7	14,693
8	14,435
9	13,492
≥10	10,064

Number of rotamers	Number of fragments
1–5	219,684
6–10	10,840
11–15	1768
16–20	488
21–25	209
26–30	82
31–35	47
36–40	18
41–45	8
46–50	1
>50	3