
    alatis_output_mol

 28 29  0  0  0  0  0  0  0  0999 V2000
    0.8845    1.2606    0.4436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1981    3.1290    2.4712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2120    2.5319    1.6782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3619    1.4989   -0.3999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5373   -0.6896   -0.1038 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6422   -0.0097    0.0608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2850   -1.3905    0.4498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5057    3.1215    3.3077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7982    0.9255    1.0127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4622    2.5631    2.4922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4765    1.3828    0.9218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3184    3.6035    3.9856 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7878    1.4699    1.7704 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5092    0.7629    0.1489 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8503   -1.1103   -0.3696 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6186    1.2129    1.5069 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5710    2.1096    0.3411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9664    4.0089    3.0623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2190    2.9716    1.6917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5769    2.5731   -0.4504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1886    1.1945   -1.4400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6056   -0.8509   -1.1863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4054   -1.1710    0.3559 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2761   -0.3342    0.8940 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3187    0.2193   -0.7706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0945   -1.1432    1.5010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4453   -2.4726    0.3935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1369    0.0770    0.4243 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  2  0  0  0  0
  2 10  1  0  0  0  0
  2 18  1  0  0  0  0
  3 11  1  0  0  0  0
  3 19  1  0  0  0  0
  4 14  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5 14  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6  1  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7  5  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  2  0  0  0  0
  9 28  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12  8  3  0  0  0  0
 13  9  1  0  0  0  0
 15  6  1  0  0  0  0
 15  7  1  0  0  0  0
M  END
>  <ID>
Z1348371854

>  <Barcode>
0110705782

>  <Well>
G02

>  <Plate_ID>
816280-02

>  <MW>
203.25

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C11H13N3O/c12-8-10-2-3-11(9-13-10)14-4-1-6-15-7-5-14/h2-3,9H,1,4-7H2

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
