
    alatis_output_mol

 28 29  0  0  0  0  0  0  0  0999 V2000
    1.3870   -2.4275    0.2562 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7767    5.7691   -2.1541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4357    4.5527   -2.0865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7607    1.2105    0.2580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4202   -0.0788   -0.2337 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1467    4.7574   -1.4335 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4054    0.0931    0.1293 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6741   -1.1982   -0.2890 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.4820    3.5405   -1.3335 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2483    2.3459   -0.8705 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5296    5.9007   -1.8352 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8255    3.4109   -1.6871 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6187    1.2738   -0.2385 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4665    2.3526   -1.0679 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6769   -1.2243    0.2163 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8647   -3.3393   -0.0528 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3891   -2.4244    1.3521 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4211   -2.4797   -0.0970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2847    6.6744   -2.4674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4848    4.4648   -2.3485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3633    2.0768    0.0049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6891    1.1902    1.3530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4336   -0.1620    0.1700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4872   -0.1014   -1.3282 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1986    4.8545   -1.1860 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5230    0.1294    1.2199 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4053    0.1219   -0.3154 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6293   -1.2635   -1.3834 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  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
  2  3  2  0  0  0  0
  2 11  1  0  0  0  0
  2 19  1  0  0  0  0
  3 12  1  0  0  0  0
  3 20  1  0  0  0  0
  4 13  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5  4  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6  9  1  0  0  0  0
  6 25  1  0  0  0  0
  7 13  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8  7  1  0  0  0  0
  8 28  1  0  0  0  0
  9 10  1  0  0  0  0
 10 13  1  0  0  0  0
 11  6  2  0  0  0  0
 12  9  2  0  0  0  0
 14 10  2  0  0  0  0
 15  5  1  0  0  0  0
 15  8  1  0  0  0  0
M  END
>  <ID>
Z212851096

>  <Barcode>
9990531827

>  <Well>
A02

>  <Plate_ID>
816280-06

>  <MW>
207.23

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H13N3O2/c1-8-7-13(4-5-15-8)10(14)9-6-11-2-3-12-9/h2-3,6,8H,4-5,7H2,1H3/t8-/m1/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
