
    alatis_output_mol

 32 33  0  0  0  0  0  0  0  0999 V2000
    2.6749    2.4178   -0.9454 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0901   -7.4485    1.0751 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0884    1.8551    0.3389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3653    1.1147   -0.0695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1204   -0.0903   -0.1685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1872   -4.9720    0.1113 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2716   -6.8667   -0.8822 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0909   -5.9196    0.9267 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0143   -5.8434    0.0606 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9819    0.8704    0.0944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3322   -1.2248   -0.0823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7975   -2.6091   -0.0657 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1772   -3.5859   -0.0340 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4039   -7.5273   -0.6352 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8763   -6.9438    0.4783 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9911   -2.9041   -0.0584 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3230   -0.8086    0.0473 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5139    3.0821   -0.7113 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9312    2.9984   -1.5009 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0457    1.6233   -1.6013 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3324   -6.8633    1.9648 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9280   -8.4947    1.3489 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8961   -7.3669    0.3419 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8886    1.3864    0.9253 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7048    2.6809    0.9508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7968    2.1105   -0.0865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1997   -0.1303   -0.2655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7094   -5.0960    1.0667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8909   -5.2282   -0.6891 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6679   -7.1662   -1.7297 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3379   -5.3636    1.8209 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1502   -3.3106   -0.0151 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2 15  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3 10  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  2  0  0  0  0
  4 26  1  0  0  0  0
  5 11  2  0  0  0  0
  5 27  1  0  0  0  0
  6 13  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7  9  1  0  0  0  0
  7 30  1  0  0  0  0
  8  9  2  0  0  0  0
  8 31  1  0  0  0  0
  9  6  1  0  0  0  0
 10 17  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 13 32  1  0  0  0  0
 14  7  2  0  0  0  0
 15  8  1  0  0  0  0
 15 14  1  0  0  0  0
 16 12  2  0  0  0  0
 17 11  1  0  0  0  0
M  END
>  <ID>
Z804566442

>  <Barcode>
0110706305

>  <Well>
C07

>  <Plate_ID>
816280-07

>  <MW>
249.34

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C12H15N3OS/c1-3-10-4-5-11(17-10)12(16)13-6-9-7-14-15(2)8-9/h4-5,7-8H,3,6H2,1-2H3,(H,13,16)

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	17
2	C	15
3	C	16
4	C	12
5	C	7
6	C	14
7	C	10
8	C	8
9	C	4
10	C	9
11	C	1
12	C	5
13	N	11
14	N	3
15	N	6
16	O	13
17	S	2
18	H	31
19	H	32
20	H	30
21	H	25
22	H	27
23	H	26
24	H	28
25	H	29
26	H	22
27	H	18
28	H	23
29	H	24
30	H	20
31	H	19
32	H	21


> <ALATIS_Mixture_Map>

$$$$
