
    alatis_output_mol

 30 30  0  0  0  0  0  0  0  0999 V2000
    2.9113    0.9575    1.9599 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7957    0.1833   -0.2225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5663    4.0893   -2.0333 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6565    3.2030   -1.5412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2401    1.6950   -1.7769 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6941    2.9218   -0.0320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2077    1.4136   -0.2531 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6800    0.8029    0.5187 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6418    2.9768   -2.2056 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1744    1.5734    0.3181 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2201   -0.0322   -1.3605 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7490   -0.8074    0.9775 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1584    0.2315    0.0600 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9533    1.2357    2.1499 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2923    1.7708    2.3538 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7032    0.0373    2.5111 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6396   -0.8892   -0.3727 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7481    0.3154    0.2956 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8830    0.6742   -1.1984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4610    3.9264   -2.6456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8789    4.2317   -0.9949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1184    5.0219   -2.3940 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9898    4.2358   -1.7114 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4057    2.5748   -2.0369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2754    1.6257   -2.1323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7181    0.8972   -2.3133 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7080    3.0647    0.3520 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0836    3.6594    0.5044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8733    2.1121    0.2696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5932    0.4099   -0.0430 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  8  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3  9  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4  6  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5  7  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6 10  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7 10  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8 13  1  0  0  0  0
  9  4  1  0  0  0  0
  9  5  1  0  0  0  0
 10 13  1  0  0  0  0
 11 13  2  0  0  0  0
 12 13  2  0  0  0  0
M  END
>  <ID>
Z2735592898

>  <Barcode>
0110770179

>  <Well>
H04

>  <Plate_ID>
816280-08

>  <MW>
207.30

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C7H17N3O2S/c1-8(2)13(11,12)10-6-4-9(3)5-7-10/h4-7H2,1-3H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
