
    alatis_output_mol

 30 31  0  0  0  0  0  0  0  0999 V2000
    2.7189   -0.0102    1.0995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0716   -2.2790   -0.8906 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3985    4.8918    0.0567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7208    3.8171   -1.6609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2595    3.5442    0.8030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5762    2.4500   -0.9451 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6297    1.2476    0.5430 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3082    0.0463    0.5996 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4732   -1.0163   -0.3487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6459    1.2596    0.0051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6238    4.9884   -0.7615 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7655   -1.1033    0.1616 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1932    0.1165   -0.4489 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3202    2.4546   -0.1801 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0629    0.9677    1.4544 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7935   -0.7195    1.9287 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3848   -0.3308    0.2923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4714   -2.6414   -1.7314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0923   -3.0460   -0.1126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0934   -2.1110   -1.2427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3964    5.7093    0.7853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5231    5.0338   -0.5906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6849    3.8533   -2.1791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9395    3.8981   -2.4279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3266    3.5666    1.3726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0741    3.4327    1.5309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4277    2.2838   -0.2721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5965    1.6695   -1.7144 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1218    2.1564    0.8579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5728    5.8324   -1.3311 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  9  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3  5  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4  6  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5 14  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6 14  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7 10  2  0  0  0  0
  7 29  1  0  0  0  0
  8  7  1  0  0  0  0
  9 13  2  0  0  0  0
 11  3  1  0  0  0  0
 11  4  1  0  0  0  0
 11 30  1  0  0  0  0
 12  8  2  0  0  0  0
 12  9  1  0  0  0  0
 13 10  1  0  0  0  0
 14 10  1  0  0  0  0
M  END
>  <ID>
Z274575916

>  <Barcode>
0110705985

>  <Well>
F10

>  <Plate_ID>
816280-03

>  <MW>
192.27

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H16N4/c1-8-7-10(13-9(2)12-8)14-5-3-11-4-6-14/h7,11H,3-6H2,1-2H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	14
2	C	11
3	C	12
4	C	13
5	C	10
6	C	9
7	C	4
8	C	7
9	C	5
10	C	1
11	N	8
12	N	6
13	N	2
14	N	3
15	H	28
16	H	30
17	H	29
18	H	23
19	H	22
20	H	21
21	H	24
22	H	25
23	H	26
24	H	27
25	H	19
26	H	20
27	H	17
28	H	18
29	H	15
30	H	16


> <ALATIS_Mixture_Map>

$$$$
