
    alatis_output_mol

 29 30  0  0  0  0  0  0  0  0999 V2000
   -2.1368   -3.4822    1.6297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5188   -6.0446    1.9716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7851    1.9388   -1.1677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0283   -3.2551   -1.2560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6565   -4.7304   -1.4691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6730   -3.6032    1.1797 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.2650   -5.0645    0.8326 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4232    0.7690   -0.3348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3145   -1.3926    0.1241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6773   -0.5168   -0.7923 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1382    0.9478    0.8604 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4273   -2.7495   -0.0076 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9760   -5.5400   -0.3262 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3764   -0.5718    1.4954 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4289   -2.4349    1.7611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2920   -3.9833    2.5903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8268   -3.9282    0.9056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0436   -5.7093    2.8986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1166   -7.0306    1.7141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5893   -6.1895    2.1491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2511    1.6228   -2.1059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4949    2.5808   -0.6360 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1039    2.5293   -1.4103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6781   -2.6879   -2.1270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1188   -3.1521   -1.2040 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4131   -4.8349   -1.6880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2085   -5.1323   -2.3248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0319   -3.2887    2.0117 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8096   -5.0887    0.6042 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  7  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3  8  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4 12  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5  4  1  0  0  0  0
  5 13  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6 12  1  0  0  0  0
  6 28  1  0  0  0  0
  7  6  1  0  0  0  0
  7 29  1  0  0  0  0
  8 10  1  0  0  0  0
 10  9  2  0  0  0  0
 11  8  2  0  0  0  0
 11 14  1  0  0  0  0
 12  9  1  0  0  0  0
 13  7  1  0  0  0  0
 14  9  1  0  0  0  0
M  END
>  <ID>
Z1439422127

>  <Barcode>
9990531651

>  <Well>
H04

>  <Plate_ID>
816280-06

>  <MW>
213.30

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H15N3OS/c1-6-7(2)13-5-4-12(6)9-10-8(3)11-14-9/h6-7H,4-5H2,1-3H3/t6-,7+/m0/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
