
    alatis_output_mol

 30 31  0  0  0  0  0  0  0  0999 V2000
    2.8187   -2.5475   -0.2204 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2622    4.6475   -1.6108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4783   -0.0316   -0.2068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6880   -1.2608    0.2361 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6615    3.6148   -0.8903 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3520    4.3479   -2.3943 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7859    1.2640    0.2133 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4249    0.1288    0.1067 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7645   -1.2204   -0.2801 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.1572    2.3172   -0.9623 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4479   -2.4158    0.2578 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8473    3.1051   -2.4635 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2456    2.0971   -1.7375 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5756    1.2572   -0.2973 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4648   -1.7648    0.1873 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2268   -3.5041    0.1214 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8701   -2.5326   -1.3134 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8822    5.6606   -1.5515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5885   -0.0495   -1.2985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4872   -0.0667    0.2191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6972   -1.3135    1.3330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1953   -2.1617   -0.1311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1802    3.8580   -0.2533 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8640    5.0960   -2.9867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3846    2.0928   -0.1781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7720    1.3556    1.3060 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5674    0.1744    1.1946 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4257    0.1819   -0.3353 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7327   -1.2907   -1.3762 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9255   -3.2443   -0.0277 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  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  5  2  0  0  0  0
  2 18  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4  9  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5 10  1  0  0  0  0
  5 23  1  0  0  0  0
  6  2  1  0  0  0  0
  6 12  2  0  0  0  0
  6 24  1  0  0  0  0
  7 14  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 14  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9  8  1  0  0  0  0
  9 29  1  0  0  0  0
 10 14  1  0  0  0  0
 11  9  1  0  0  0  0
 11 30  1  0  0  0  0
 12 13  1  0  0  0  0
 13 10  2  0  0  0  0
M  END
>  <ID>
Z1139246057

>  <Barcode>
9990531654

>  <Well>
H07

>  <Plate_ID>
816280-06

>  <MW>
192.27

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H16N4/c1-11-9-4-3-7-14(8-9)10-5-2-6-12-13-10/h2,5-6,9,11H,3-4,7-8H2,1H3/t9-/m0/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
