
    alatis_output_mol

 23 24  0  0  0  0  0  0  0  0999 V2000
    2.3180    1.3483    4.0035 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2890    2.7352    4.0215 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6801    0.6742    2.9683 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5668    3.3862    3.0330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2640   -1.8652   -2.8918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8117   -0.9034   -2.0530 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7286   -1.7016   -1.7797 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1721   -0.7574   -0.9277 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0041    1.4127    2.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9603   -0.2571    0.2251 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0212   -2.2746   -2.7853 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1102   -0.3148   -1.0558 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8876    2.7531    2.0498 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3955    0.7928    0.9106 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0535   -0.7688    0.4688 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8453    0.7927    4.7731 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8155    3.2953    4.7857 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7003   -0.4097    2.9341 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5275    4.4702    2.9968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8488   -2.3394   -3.6705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8452   -0.5919   -2.1571 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7560   -2.0352   -1.6734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3058    1.3401    0.4267 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1 16  1  0  0  0  0
  2  1  1  0  0  0  0
  2  4  2  0  0  0  0
  2 17  1  0  0  0  0
  3  9  1  0  0  0  0
  3 18  1  0  0  0  0
  4 13  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  2  0  0  0  0
  5 11  1  0  0  0  0
  5 20  1  0  0  0  0
  6 12  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  1  0  0  0  0
  7 22  1  0  0  0  0
  8 10  1  0  0  0  0
  9 14  1  0  0  0  0
 11  7  2  0  0  0  0
 12  8  2  0  0  0  0
 13  9  2  0  0  0  0
 14 10  1  0  0  0  0
 14 23  1  0  0  0  0
 15 10  2  0  0  0  0
M  END
>  <ID>
Z85525386

>  <Barcode>
0110705973

>  <Well>
G03

>  <Plate_ID>
816280-03

>  <MW>
200.20

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H8N4O/c15-10(8-7-11-5-6-12-8)14-9-3-1-2-4-13-9/h1-7H,(H,13,14,15)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
