
    alatis_output_mol

 28 29  0  0  0  0  0  0  0  0999 V2000
   -6.2697    1.3271   -0.4794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9406   -1.5962   -0.9154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0699    0.5542    0.3975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0691   -0.4029    0.5659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5503   -2.0858   -0.3320 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3219   -3.5424   -0.0265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3126    0.2103   -0.1584 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5825   -1.1393   -0.4578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2817   -1.7151    0.1353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1923   -2.7383    0.1517 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1930   -3.0316   -0.0232 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4526   -2.5054   -0.1564 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6476   -4.6551    0.1236 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9187   -2.2275   -0.0430 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3081   -4.3317    0.1291 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5036   -3.9135    0.2899 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2638    0.9735   -0.7622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3868    1.9952    0.3794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8731    1.9020   -1.3243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0161   -2.6889   -0.9210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1505   -1.2318   -1.9249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7117   -1.2339   -0.2260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8747    1.5830    0.6943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1375   -0.1045    1.0357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7283   -3.1246   -0.6115 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3972   -3.4392   -0.0410 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6933   -1.5340   -0.2833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8042   -1.2469   -0.2340 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2  8  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3  4  2  0  0  0  0
  3  7  1  0  0  0  0
  3 23  1  0  0  0  0
  4  9  1  0  0  0  0
  4 24  1  0  0  0  0
  5  9  2  0  0  0  0
  5 25  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  2  0  0  0  0
  6 26  1  0  0  0  0
  7  8  2  0  0  0  0
  8  5  1  0  0  0  0
  9 10  1  0  0  0  0
 10 14  1  0  0  0  0
 12 11  1  0  0  0  0
 12 27  1  0  0  0  0
 13 15  1  0  0  0  0
 14 11  1  0  0  0  0
 14 28  1  0  0  0  0
 15 11  2  0  0  0  0
 16 10  2  0  0  0  0
M  END
>  <ID>
Z2856434827

>  <Barcode>
0110705821

>  <Well>
C11

>  <Plate_ID>
816280-02

>  <MW>
216.24

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C11H12N4O/c1-7-3-4-9(5-8(7)2)10(16)14-11-12-6-13-15-11/h3-6H,1-2H3,(H2,12,13,14,15,16)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
