# label energies in kcal/mol
1 fc_75 -29.7194
2 am_65 -29.1328
3 ai_71 -28.8389
4 ai_151 -28.7358
5 cb_246 -28.6911
6 fc_141 -28.66
7 am_18 -28.5271
8 fc_406 -28.4972
9 ak_267 -28.3847
10 cd_28 -28.301
11 af_65 -28.2567
12 af_210 -28.1867
13 aq_276 -28.0981
14 ai_297 -28.0442
15 as_78 -28.0331
16 fc_371 -27.963
17 am_190 -27.9586
18 cc_458 -27.9474
19 am_150 -27.9219
20 aq_90 -27.8419
21 ai_480 -27.7469
22 cb_49 -27.7276
23 ai_6 -27.7271
24 am_2 -27.7212
25 av_32 -27.7078
26 af_8 -27.6592
27 aq_83 -27.6569
28 dd_301 -27.648
29 ai_184 -27.6269
30 ai_89 -27.6238
31 cb_347 -27.6135
32 au_458 -27.5681
33 aq_12 -27.55
34 fc_473 -27.5297
35 af_58 -27.5195
36 ab_74 -27.4887
37 ai_101 -27.4867
38 ak_303 -27.4354
39 aq_171 -27.4306
40 ak_481 -27.4254
41 aq_55 -27.4139
42 am_160 -27.3694
43 am_103 -27.357
44 aq_476 -27.3406
45 bh_24 -27.3387
46 am_481 -27.3181
47 ab_79 -27.3161
48 ca_8 -27.314
49 ab_5 -27.312
50 fc_48 -27.2872
51 ag_75 -27.2617
52 cb_422 -27.2422
53 ay_22 -27.22
54 af_19 -27.2133
55 ab_67 -27.188
56 cb_207 -27.188
57 as_11 -27.1792
58 cb_1 -27.1719
59 am_1 -27.1613
60 am_5 -27.1422
61 av_58 -27.1206
62 ai_84 -27.1106
63 fa_13 -27.1024
64 cc_105 -27.087
65 ai_222 -27.0694
66 ak_166 -27.0148
67 ak_23 -27.0081
68 am_71 -26.9844
69 am_173 -26.9744
70 aq_182 -26.9708
71 aq_186 -26.9694
72 ai_32 -26.9658
73 fc_23 -26.9625
74 aq_478 -26.9212
75 aq_8 -26.8911
76 ah_64 -26.8825
77 fc_207 -26.8788
78 ah_27 -26.8783
79 au_162 -26.8715
80 am_144 -26.8542
81 dd_347 -26.8407
82 au_403 -26.8278
83 ag_71 -26.8117
84 am_32 -26.7694
85 dc_117 -26.7427
86 as_12 -26.7419
87 am_336 -26.7368
88 am_237 -26.7215
89 fa_326 -26.6904
90 am_367 -26.6496
-----------not-relaxed-structures-below----
91 ak_22_geometries_not_relaxed -28.7372
92 cb_75_geometries_not_relaxed -28.2817
93 aq_50_geometries_not_relaxed -27.7117
94 fc_58_geometries_not_relaxed -27.115
95 av_180_geometries_not_relaxed -27.0405
96 ak_1_geometries_not_relaxed -26.9637
97 ai_257_geometries_not_relaxed -27.2938
98 as_82_geometries_not_relaxed -27.2811
99 as_51_geometries_not_relaxed -26.905
100 am_47_geometries_not_relaxed -27.3094
