
    alatis_output_mol

 33 34  0  0  0  0  0  0  0  0999 V2000
    3.7910   -4.9205    0.0857 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6904   -3.4147    0.2777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5704    2.2844   -1.7361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0958    2.5291   -0.3062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0096    0.9931   -2.3222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3295    1.3220    0.5995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2971   -0.2044   -1.4194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7983    0.0008    0.0197 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2546   -2.9488    0.1353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2989   -0.1126    0.1071 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9435   -0.8876    0.2062 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1300   -1.5804    0.2652 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4248    0.8715    0.0232 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8808    0.4216    0.1054 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3461   -3.7433   -0.0792 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5738   -1.6518    0.3199 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1732   -5.4497    0.8205 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4370   -5.2093   -0.9108 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8232   -5.2612    0.1958 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0524   -3.1446    1.2756 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3077   -2.9052   -0.4698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2790    3.1308   -2.3688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6678    2.2375   -1.7513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0338    2.7950   -0.3173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6232    3.3970    0.1060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4539    0.8184   -3.3092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9295    1.0942   -2.4770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8919    1.5118    1.5877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4110    1.2165    0.7544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3826   -0.3695   -1.3942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8583   -1.1073   -1.8608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2262   -0.8038    0.6346 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9520   -0.9943    0.2709 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2  9  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4  6  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5  7  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6  8  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7  8  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8 10  1  0  0  0  0
  8 32  1  0  0  0  0
  9 12  1  0  0  0  0
 10 16  1  0  0  0  0
 11 16  1  0  0  0  0
 12 11  1  0  0  0  0
 12 33  1  0  0  0  0
 13 10  2  0  0  0  0
 13 14  1  0  0  0  0
 14 11  2  0  0  0  0
 15  9  2  0  0  0  0
M  END
>  <ID>
Z165063492

>  <Barcode>
9990529622

>  <Well>
A10

>  <Plate_ID>
816280-04

>  <MW>
239.34

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C11H17N3OS/c1-2-9(15)12-11-14-13-10(16-11)8-6-4-3-5-7-8/h8H,2-7H2,1H3,(H,12,14,15)

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	13
2	C	10
3	C	16
4	C	14
5	C	15
6	C	12
7	C	11
8	C	8
9	C	7
10	C	3
11	C	2
12	N	6
13	N	4
14	N	5
15	O	9
16	S	1
17	H	25
18	H	27
19	H	26
20	H	19
21	H	20
22	H	32
23	H	33
24	H	28
25	H	29
26	H	30
27	H	31
28	H	23
29	H	24
30	H	21
31	H	22
32	H	18
33	H	17


> <ALATIS_Mixture_Map>

$$$$
