
    alatis_output_mol

 32 33  0  0  0  0  0  0  0  0999 V2000
    2.4541   -0.3742   -1.4043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1556   -2.2112    1.2594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7093    2.4246    0.0404 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5612    1.0710   -0.6457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1697    5.0275    0.4301 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5048    3.9073    1.0968 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1500   -0.1733   -0.6949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5763   -1.0428    0.5257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5325    3.7048   -0.0498 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.2297    5.4170    0.9726 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.6523    1.1985    0.0127 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5972   -1.2427   -0.1001 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2393    0.1286    0.5806 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2552    2.4803    0.1433 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0980    6.1553    0.0852 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7957    0.5433   -1.8945 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3455   -1.1466   -2.1736 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2236   -0.6875   -0.6900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4523   -2.5469    2.0288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3390   -3.0357    0.5650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0988   -1.9461    1.7467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1565    3.4226   -0.0046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0226    1.9018   -0.8718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1465    1.9192    0.9089 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0390    1.9118   -1.1308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9255    4.9468    1.2187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5538    5.6713   -0.3667 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5263    3.5822    0.8820 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2054    3.4969    2.0703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1278    3.7950   -1.0653 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1907    5.9331    1.9378 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2532    5.5845   -0.6870 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2  8  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3 14  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4 11  1  0  0  0  0
  4 25  1  0  0  0  0
  5  9  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6  9  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7  4  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 30  1  0  0  0  0
 10  5  1  0  0  0  0
 10  6  1  0  0  0  0
 10 31  1  0  0  0  0
 12  7  1  0  0  0  0
 12  8  2  0  0  0  0
 13 11  2  0  0  0  0
 14 11  1  0  0  0  0
 15 10  1  0  0  0  0
 15 32  1  0  0  0  0
M  END
>  <ID>
Z1675346324

>  <Barcode>
0110705809

>  <Well>
D02

>  <Plate_ID>
816280-02

>  <MW>
207.28

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C11H17N3O/c1-7-4-11(13-8(2)12-7)14(3)9-5-10(15)6-9/h4,9-10,15H,5-6H2,1-3H3/t9-,10-

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
