ATOM 105
1 C1y C 10.1696 -12.5533
2 C1y C 10.1911 -13.9456
3 O2x O 8.9548 -11.8658
4 O2a O 11.4060 -14.6332
5 C1y C 8.9818 -14.6546
6 C1x C 7.7536 -12.5725
7 C1y C 11.4116 -16.0301
8 C1y C 7.7673 -13.9671
9 O1a O 8.9977 -16.0570
10 C1y C 12.6283 -16.7255
11 O2x O 10.2077 -16.7419
12 O1a O 6.5632 -14.6788
13 C1y C 12.6441 -18.1280
14 O1a O 13.8428 -16.0194
15 C1y C 10.2104 -18.1434
16 C1y C 11.4300 -18.8341
17 O2a O 13.8560 -18.8206
18 C1a C 9.0039 -18.8475
19 O1a O 11.4377 -20.2387
20 C1z C 17.4402 -9.7812
21 C1z C 18.6501 -9.0948
22 C1y C 16.2363 -9.0772
23 C1x C 17.4402 -11.1768
24 C1a C 17.9813 -8.4434
25 C2y C 18.6618 -7.6989
26 C1x C 19.8364 -9.7985
27 C1a C 18.6325 -10.4848
28 C1z C 15.0207 -9.7695
29 C1x C 16.2479 -7.6814
30 C1x C 16.2246 -11.8749
31 C1y C 19.8714 -7.0183
32 C2x C 17.4635 -6.9893
33 C1x C 21.0521 -9.1238
34 C1y C 15.0150 -11.1651
35 C1x C 13.8110 -9.0715
36 C1a C 15.0090 -8.3677
37 C1z C 21.0636 -7.7339
38 C1x C 19.8888 -5.6284
39 C1z C 13.8110 -11.8691
40 C1x C 12.5952 -9.7695
41 C1x C 22.2794 -7.0531
42 C7a C 22.2677 -8.4258
43 C1z C 21.1043 -4.9536
44 C1y C 12.5952 -11.1651
45 C1x C 22.2269 -5.6633
46 O7a O 23.4773 -7.7222
47 O6a O 22.2618 -9.8218
48 C1a C 21.7966 -3.7381
49 C1a C 20.3948 -3.7381
50 O2a O 11.3855 -11.8691
51 C1a C 13.1124 -13.2886
52 C1b C 14.5095 -13.2886
53 C1y C 24.6872 -8.4207
54 C1y C 13.8560 -20.2179
55 O2x O 12.6391 -20.9207
56 C1x C 12.6393 -22.3179
57 C1y C 13.8495 -23.0161
58 C1y C 15.0665 -22.3134
59 C1y C 15.0662 -20.9162
60 O2x O 24.6878 -9.8443
61 C1y C 25.8983 -10.5423
62 C1y C 27.1078 -9.8432
63 C1y C 27.1072 -8.4196
64 C1y C 25.8970 -7.7217
65 C1b C 25.8989 -11.9403
66 O1a O 28.2991 -7.7312
67 O1a O 16.3040 -20.2017
68 O1a O 16.2746 -23.0104
69 O2a O 13.8503 -24.4451
70 O1a O 25.8967 -6.3518
71 O2a O 28.3124 -10.5380
72 C1y C 12.6386 -25.1446
73 O2x O 11.4318 -24.4477
74 C1y C 10.2200 -25.1471
75 C1y C 10.2199 -26.5463
76 C1y C 11.4268 -27.2432
77 C1y C 12.6385 -26.5438
78 C1b C 8.9892 -24.4368
79 O1a O 11.4261 -28.6127
80 O1a O 9.0170 -27.2403
81 O1a O 13.8540 -27.2459
82 O1a O 7.7776 -25.1363
83 O1a O 24.6871 -12.6399
84 C1y C 28.3124 -11.9369
85 O2x O 27.1015 -12.6362
86 C1y C 27.1015 -14.0350
87 C1y C 28.3129 -14.7344
88 C1y C 29.5239 -14.0352
89 C1y C 29.5239 -12.6364
90 O1a O 30.7390 -14.7367
91 C1b C 25.8541 -14.7551
92 O2a O 28.3127 -16.1569
93 O1a O 30.7188 -11.9467
94 O1a O 24.6426 -14.0556
95 C1y C 27.1013 -16.8564
96 O2x O 25.8647 -16.1421
97 C1y C 24.6530 -16.8412
98 C1y C 24.6527 -18.2401
99 C1y C 25.8893 -18.9544
100 C1y C 27.1009 -18.2553
101 C1a C 23.4236 -16.1305
102 O1a O 25.8889 -20.3537
103 O1a O 28.3123 -18.9547
104 O1a O 23.4412 -18.9395
105 O1a O 15.7219 -13.9886
BOND 116
1 13 17 1 #Down
2 15 18 1 #Down
3 16 19 1 #Up
4 6 8 1
5 15 16 1
6 1 2 1
7 1 3 1
8 2 4 1 #Down
9 2 5 1
10 3 6 1
11 7 4 1 #Up
12 5 8 1
13 5 9 1 #Up
14 7 10 1
15 7 11 1
16 8 12 1 #Up
17 10 13 1
18 10 14 1 #Down
19 11 15 1
20 13 16 1
21 20 21 1
22 20 22 1
23 20 23 1
24 20 24 1 #Up
25 21 25 1
26 21 26 1
27 21 27 1 #Down
28 22 28 1
29 22 29 1
30 23 30 1
31 25 31 1
32 25 32 2
33 26 33 1
34 28 34 1
35 28 35 1
36 28 36 1 #Up
37 31 37 1
38 31 38 1
39 34 39 1
40 35 40 1
41 37 41 1
42 37 42 1 #Up
43 38 43 1
44 39 44 1
45 41 45 1
46 42 46 1
47 42 47 2
48 43 48 1
49 43 49 1
50 44 50 1 #Up
51 29 32 1
52 30 34 1
53 33 37 1
54 40 44 1
55 43 45 1
56 1 50 1 #Up
57 39 51 1
58 39 52 1 #Down
59 53 46 1 #Up
60 54 17 1 #Up
61 54 55 1
62 55 56 1
63 56 57 1
64 57 58 1
65 58 59 1
66 54 59 1
67 53 60 1
68 60 61 1
69 61 62 1
70 62 63 1
71 63 64 1
72 53 64 1
73 61 65 1 #Up
74 63 66 1 #Up
75 59 67 1 #Down
76 58 68 1 #Down
77 57 69 1 #Down
78 64 70 1 #Down
79 62 71 1 #Down
80 72 69 1 #Up
81 72 73 1
82 73 74 1
83 74 75 1
84 75 76 1
85 76 77 1
86 72 77 1
87 74 78 1 #Up
88 76 79 1 #Up
89 75 80 1 #Down
90 77 81 1 #Down
91 78 82 1
92 65 83 1
93 84 71 1 #Up
94 84 85 1
95 85 86 1
96 86 87 1
97 87 88 1
98 88 89 1
99 84 89 1
100 88 90 1 #Up
101 86 91 1 #Up
102 87 92 1 #Down
103 89 93 1 #Down
104 91 94 1
105 95 92 1 #Up
106 95 96 1
107 96 97 1
108 97 98 1
109 98 99 1
110 99 100 1
111 95 100 1
112 97 101 1 #Down
113 99 102 1 #Down
114 100 103 1 #Down
115 98 104 1 #Up
116 52 105 1
| 
