
    alatis_output_mol

 29 30  0  0  0  0  0  0  0  0999 V2000
   -6.2793   -3.1822    2.3862 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0631    0.6960   -0.0027 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0710   -0.7014    0.0013 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8632    1.4159   -0.0073 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8717   -1.4272    0.0028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8876   -0.0378   -0.0226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2737   -2.9842    0.0349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3156    0.6670   -0.0091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3420   -0.7230   -0.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4011   -0.1117   -0.0181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8173   -1.5274   -0.0538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4540   -1.3578   -0.0655 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6360    1.0299   -0.0185 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6378   -1.1888   -0.0019 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6084   -0.5884   -0.1043 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7612   -3.6869    1.1603 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3734   -3.2081    2.3893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9265   -2.1616    2.5641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9137   -3.8153    3.1995 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0081    1.2360   -0.0036 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0189   -1.2346    0.0033 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8572    2.5003   -0.0111 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8719   -2.5111    0.0065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2474    0.4613    0.8840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2464    0.5224   -0.8926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9282   -3.4980   -0.8687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3694   -3.0228    0.0316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8390   -2.1493    0.1115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9865    1.9767   -0.0249 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  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  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2 20  1  0  0  0  0
  3  5  2  0  0  0  0
  3 21  1  0  0  0  0
  4  8  1  0  0  0  0
  4 22  1  0  0  0  0
  5  9  1  0  0  0  0
  5 23  1  0  0  0  0
  6 10  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7 11  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8  9  2  0  0  0  0
  9 14  1  0  0  0  0
 10 14  2  0  0  0  0
 11 12  1  0  0  0  0
 12  6  1  0  0  0  0
 12 28  1  0  0  0  0
 13  8  1  0  0  0  0
 13 10  1  0  0  0  0
 13 29  1  0  0  0  0
 15 11  2  0  0  0  0
 16  7  1  0  0  0  0
M  END
>  <ID>
Z111529496

>  <Barcode>
0110706019

>  <Well>
C05

>  <Plate_ID>
816280-03

>  <MW>
219.25

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C11H13N3O2/c1-16-7-11(15)12-6-10-13-8-4-2-3-5-9(8)14-10/h2-5H,6-7H2,1H3,(H,12,15)(H,13,14)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
