
    alatis_output_mol

 30 31  0  0  0  0  0  0  0  0999 V2000
   -6.0719    1.7658    2.0609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4414    0.8012    1.0671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3495   -0.2724    0.2411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1367    1.1492    2.1617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9650   -0.4685    0.2274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7465    0.9526    2.1463 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1490   -0.5482    0.9008 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2838    0.1250    1.7536 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3774   -1.1813   -0.3969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9535    0.5642    1.1879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1446    0.1674    1.1583 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5083   -0.5195    0.4644 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0426   -0.5722    0.2034 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7184   -1.2107   -0.1959 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9409    0.1618    1.5651 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2632    0.0696    1.1502 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6551   -1.1592   -0.7979 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1374    1.8871    1.8388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9828    1.3941    3.0865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6060    2.7552    2.0076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9562   -0.1647    1.1441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6335    1.1916    0.0586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9529   -0.7686   -0.5171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5578    1.7838    2.9370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5635   -1.1216   -0.5399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1452    1.4436    2.9068 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2186   -0.5762    1.0797 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6588    0.6549    2.6226 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0182   -1.7164   -1.2705 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7798    0.5503    1.8819 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2 10  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3  5  2  0  0  0  0
  3 10  1  0  0  0  0
  3 23  1  0  0  0  0
  4  6  1  0  0  0  0
  4 24  1  0  0  0  0
  5 11  1  0  0  0  0
  5 25  1  0  0  0  0
  6 11  2  0  0  0  0
  6 26  1  0  0  0  0
  7  8  2  0  0  0  0
  7 14  1  0  0  0  0
  7 27  1  0  0  0  0
  8 15  1  0  0  0  0
  8 28  1  0  0  0  0
  9 12  1  0  0  0  0
  9 29  1  0  0  0  0
 10  4  2  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 14  9  2  0  0  0  0
 15 12  2  0  0  0  0
 16 13  1  0  0  0  0
 16 30  1  0  0  0  0
 17 13  2  0  0  0  0
M  END
>  <ID>
Z30917949

>  <Barcode>
0110705904

>  <Well>
D01

>  <Plate_ID>
816280-01

>  <MW>
227.27

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C13H13N3O/c1-2-10-3-5-11(6-4-10)16-13(17)12-9-14-7-8-15-12/h3-9H,2H2,1H3,(H,16,17)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
