
    alatis_output_mol

 28 29  0  0  0  0  0  0  0  0999 V2000
   -3.4218    1.4528    0.0033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3707   -1.5665    0.0018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9345    1.3932    0.0218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8683   -1.4333    0.0196 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1988   -2.3355   -0.0113 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3581    0.1750   -0.0088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1403    0.6610    0.0145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1039   -0.7496    0.0131 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2941    0.7181    0.0275 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3079   -0.6722    0.0289 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5472   -2.4700    0.6600 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5861   -2.2500    2.0072 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5692    1.2248    0.0232 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6475   -0.9929    0.0259 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5629   -2.8038    0.0565 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3159    0.8249    0.0031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4634    2.0823   -0.8920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4714    2.0920    0.8913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1589   -2.6410   -0.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9671   -1.3525    0.8945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9572   -1.3465   -0.8961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9372    2.4785    0.0140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8347   -2.5182    0.0096 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2855   -2.6148   -1.0663 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4989   -3.0178    0.4816 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4400    0.2141   -0.0538 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8344   -1.8000    2.5150 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4951   -2.2923    2.4544 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  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  8  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3  7  1  0  0  0  0
  3  9  2  0  0  0  0
  3 22  1  0  0  0  0
  4 10  2  0  0  0  0
  4 23  1  0  0  0  0
  5 14  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6 14  1  0  0  0  0
  6 26  1  0  0  0  0
  7  8  2  0  0  0  0
  8  4  1  0  0  0  0
  9 10  1  0  0  0  0
 10 14  1  0  0  0  0
 11  5  1  0  0  0  0
 12 11  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13  6  2  0  0  0  0
 13  9  1  0  0  0  0
 15 11  2  0  0  0  0
M  END
>  <ID>
Z26251905

>  <Barcode>
0110705917

>  <Well>
C11

>  <Plate_ID>
816280-01

>  <MW>
203.25

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C11H13N3O/c1-7-3-9-10(4-8(7)2)14(6-13-9)5-11(12)15/h3-4,6H,5H2,1-2H3,(H2,12,15)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
