@<TRIPOS>MOLECULE
13l_TON_13l_13l
80 86
SMALL
NO_CHARGES

@<TRIPOS>ATOM
1 C1 -0.0238 -0.039 -0.0001 C
2 C2 1.3872 -0.039 -0.0001 C
3 C3 -0.8483 1.0926 -0.0001 C
4 C4 2.1628 1.1487 0.0 C
5 C5 -0.0726 2.2803 -0.0001 C
6 C6 1.3384 2.2803 0.0001 C
7 C7 0.7549 -2.0781 -0.0003 C
8 C8 0.5596 4.3194 -0.0002 C
9 O9 1.7356 3.5948 0.0001 O
10 O10 -0.421 -1.3535 -0.0002 O
11 N11 -0.5207 3.5895 -0.0002 N
12 N12 1.8353 -1.3482 -0.0002 N
13 C13 -2.14727641926 1.14449905786 -0.0001 C
14 C14 -2.98721981091 2.21334641303 -0.000460794028815 C
15 C15 -4.32602429806 1.70518229809 0.00084591273174 C
16 C16 -4.2453280216 0.348146493083 0.000194064165162 C
17 N17 -2.91323427741 0.000641956522751 7.67981441192e-05 N
18 H18 -2.56050370403 -0.928669380057 -0.000473027078981 H
19 H19 -5.1826643481 -0.552624483625 0.000740456390463 H
20 O20 -2.63598113127 3.46504561125 -0.000376547510397 O
21 C21 -1.20916214577 3.56037441484 -0.000419042951814 C
22 H22 -0.920505759915 4.59070922054 -0.000514314108163 H
23 H23 -0.819609532234 3.08095021665 0.873312689033 H
24 H24 -0.819651564855 3.08080042621 -0.873987304041 H
25 O25 -5.41936753473 2.40854478479 0.00197689850873 O
26 C26 -5.09144740894 3.80043855742 0.00231868221541 C
27 H27 -5.99156845965 4.3789658575 0.00308493214413 H
28 H28 -4.51816582161 4.0316285426 0.875763215302 H
29 H29 -4.51921814646 4.0323055174 -0.871536336669 H
30 C30 3.46177641926 1.09680094214 0.0 C
31 C31 4.30171981091 0.0279535869745 -0.000360794028815 C
32 C32 5.64052429806 0.536117701914 0.00094591273174 C
33 C33 5.5598280216 1.89315350692 0.000294064165162 C
34 N34 4.22773427741 2.24065804348 0.000176798144119 N
35 H35 3.87500370403 3.16996938006 -0.000373027078981 H
36 H36 6.4971643481 2.79392448363 0.000840456390463 H
37 O37 3.95048113127 -1.22374561125 -0.000276547510397 O
38 C38 2.52366214577 -1.31907441484 -0.000319042951814 C
39 H39 2.23500575992 -2.34940922054 -0.000414314108163 H
40 H40 2.13410953223 -0.839650216649 0.873412689033 H
41 H41 2.13415156485 -0.839500426207 -0.873887304041 H
42 O42 6.73386753473 -0.167244784789 0.00207689850873 O
43 C43 6.40594740894 -1.55913855742 0.00241868221541 C
44 H44 7.30606845965 -2.1376658575 0.00318493214413 H
45 H45 5.83266582161 -1.7903285426 0.875863215302 H
46 H46 5.83371814646 -1.7910055174 -0.871436336669 H
47 C47 0.630802290234 -3.37217611771 -0.000399998154525 C
48 C48 -0.483126165174 -4.15134420773 -0.000828632129855 C
49 C49 -0.0502445612179 -5.51635043264 0.000376735164282 C
50 C50 1.30917901452 -5.51128878928 -0.000264743888065 C
51 N51 1.73026697935 -4.20059504714 -0.00027855861549 N
52 H52 2.67776557753 -3.90012066188 -0.000798419353474 H
53 H53 2.15639815695 -6.4972946397 0.000212371177158 H
54 O54 -1.71334213117 -3.7310012936 -0.000721233313817 O
55 C55 -1.72913063926 -2.30108845644 -0.000755229079126 C
56 H56 -2.74180744211 -1.95554827477 -0.000831444686352 H
57 H57 -1.22875856944 -1.93882103848 0.872970156624 H
58 H58 -1.22864079583 -1.93886127962 -0.874329838943 H
59 O59 -0.813354345937 -6.56886260116 0.00142152712787 O
60 C60 -2.18484522768 -6.16400130997 0.00173166734091 C
61 H61 -2.81256174324 -7.03053683875 0.00242697525493 H
62 H62 -2.38381189012 -5.5787906607 0.875199871241 H
63 H63 -2.38447836997 -5.57970989693 -0.87209975985 H
64 C64 0.683697709766 5.61347611771 -0.000299998154525 C
65 C65 1.79762616517 6.39264420773 -0.000728632129855 C
66 C66 1.36474456122 7.75765043264 0.000476735164282 C
67 C67 0.00532098548031 7.75258878928 -0.000164743888065 C
68 N68 -0.415766979353 6.44189504714 -0.00017855861549 N
69 H69 -1.36326557753 6.14142066188 -0.000698419353474 H
70 H70 -0.841898156946 8.7385946397 0.000312371177158 H
71 O71 3.02784213117 5.9723012936 -0.000621233313817 O
72 C72 3.04363063926 4.54238845644 -0.000655229079126 C
73 H73 4.05630744211 4.19684827477 -0.000731444686352 H
74 H74 2.54325856944 4.18012103848 0.873070156624 H
75 H75 2.54314079583 4.18016127962 -0.874229838943 H
76 O76 2.12785434594 8.81016260116 0.00152152712787 O
77 C77 3.49934522768 8.40530130997 0.00183166734091 C
78 H78 4.12706174324 9.27183683875 0.00252697525493 H
79 H79 3.69831189012 7.8200906607 0.875299871241 H
80 H80 3.69897836997 7.82100989693 -0.87199975985 H
@<TRIPOS>BOND
1 1 2 Ar
2 1 3 Ar
3 1 10 1
4 2 4 Ar
5 2 12 1
6 3 5 Ar
7 3 13 1
8 4 6 Ar
9 4 30 1
10 5 6 Ar
11 5 11 1
12 6 9 1
13 7 47 1
14 7 10 1
15 7 12 2
16 8 64 1
17 8 9 1
18 8 11 2
19 13 14 2
20 13 17 1
21 14 15 1
22 14 20 1
23 15 16 2
24 15 25 1
25 16 17 1
26 16 19 1
27 17 18 1
28 20 21 1
29 21 22 1
30 21 23 1
31 21 24 1
32 25 26 1
33 26 27 1
34 26 28 1
35 26 29 1
36 30 31 2
37 30 34 1
38 31 32 1
39 31 37 1
40 32 33 2
41 32 42 1
42 33 34 1
43 33 36 1
44 34 35 1
45 37 38 1
46 38 39 1
47 38 40 1
48 38 41 1
49 42 43 1
50 43 44 1
51 43 45 1
52 43 46 1
53 47 48 2
54 47 51 1
55 48 49 1
56 48 54 1
57 49 50 2
58 49 59 1
59 50 51 1
60 50 53 1
61 51 52 1
62 54 55 1
63 55 56 1
64 55 57 1
65 55 58 1
66 59 60 1
67 60 61 1
68 60 62 1
69 60 63 1
70 64 65 2
71 64 68 1
72 65 66 1
73 65 71 1
74 66 67 2
75 66 76 1
76 67 68 1
77 67 70 1
78 68 69 1
79 71 72 1
80 72 73 1
81 72 74 1
82 72 75 1
83 76 77 1
84 77 78 1
85 77 79 1
86 77 80 1