
    alatis_output_mol

 24 24  0  0  0  0  0  0  0  0999 V2000
    2.7230    2.3100   -1.3891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4377    0.0290   -0.1979 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7193   -1.2606   -0.1846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6533    1.2937    0.1367 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4678    0.0320    0.1342 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2739    2.3104   -0.9766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7381   -1.2440    0.2890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8438   -1.3830    1.7434 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7318    1.2054   -0.3343 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5930    3.3025   -1.2526 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1518    3.2805   -1.1169 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3406    1.5574   -0.9098 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7816    2.1871   -2.4740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5514   -0.0328   -1.2883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4504    0.0969    0.2174 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2565   -2.1162    0.2430 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7264   -1.4033   -1.2735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1689    2.1558   -0.2979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6199    1.4601    1.2200 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6090    0.1465    1.2154 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4584   -0.0373   -0.3125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2539   -2.1069   -0.1492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3733   -0.6184    2.2236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3829   -2.2408    2.0460 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  4  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3  5  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4  9  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5  9  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6  9  1  0  0  0  0
  7  2  1  0  0  0  0
  7  3  1  0  0  0  0
  7 22  1  0  0  0  0
  8  7  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
 10  6  2  0  0  0  0
M  END
>  <ID>
Z90664455

>  <Barcode>
0110705779

>  <Well>
G05

>  <Plate_ID>
816280-02

>  <MW>
142.20

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C7H14N2O/c1-6(10)9-4-2-7(8)3-5-9/h7H,2-5,8H2,1H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
