
    alatis_output_mol

 26 28  0  0  0  0  0  0  0  0999 V2000
    2.6721   -2.1842    0.4107 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3510   -1.7566    1.8022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2654   -1.3495    0.8511 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6740   -0.8565    1.1295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3263    1.0227    0.6398 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2459   -0.7562    0.6684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6865   -0.2206    0.0155 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8681   -0.2876    0.2292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2064   -0.1510    0.0017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5175    0.5760    1.3743 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2930   -0.9880    0.4519 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7044    0.8930   -0.3798 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6725    0.9778   -0.5531 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7137   -2.3494    0.1560 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9816   -2.8452   -0.0993 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4420   -2.1495    2.2457 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1661   -1.6350    2.5058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7152   -1.4819    1.7915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2632   -2.3059    0.3182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1254   -1.3591    1.9895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3175   -1.0170    0.2565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6572    1.5249    1.3471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5937    1.7517   -0.1328 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0243   -0.0078    0.5640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0461   -0.3271   -1.0168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3480    1.0915    1.0849 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2  6  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3  7  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4  3  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5  7  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6  8  1  0  0  0  0
  6 24  1  0  0  0  0
  7  9  1  0  0  0  0
  7 25  1  0  0  0  0
  8 11  1  0  0  0  0
  9 11  2  0  0  0  0
 10  4  1  0  0  0  0
 10  5  1  0  0  0  0
 10 26  1  0  0  0  0
 12  8  2  0  0  0  0
 13  9  1  0  0  0  0
 13 12  1  0  0  0  0
M  END
>  <ID>
Z2177153697

>  <Barcode>
0110770265

>  <Well>
A07

>  <Plate_ID>
816280-08

>  <MW>
179.22

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H13N3O/c1-2-6(1)8-11-9(13-12-8)7-3-4-10-5-7/h6-7,10H,1-5H2/t7-/m0/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
