
    alatis_output_mol

 32 33  0  0  0  0  0  0  0  0999 V2000
    1.0133    0.4174    3.5487 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7387    0.1834    2.3565 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5995    1.5146   -3.3016 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2638    3.2068   -1.6261 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0450    0.4279   -2.3623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2941    2.1619   -0.6279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2950    0.5977    3.1733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3885    2.9781   -3.3908 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8335    0.2672    1.3143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6501    2.6989   -4.8688 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9969    0.0649   -0.1117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0225    3.5454   -5.7377 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0561    2.8791   -3.0599 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1811    0.8143   -0.9588 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3786    1.7969   -5.2676 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8123   -0.7430   -0.5584 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4170    0.5188    1.8231 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3936    0.4326    4.5603 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7959   -0.0195    2.2504 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6885    1.5648   -3.1678 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4506    1.2161   -4.3451 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3454    3.2994   -1.4604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1549    4.1950   -1.4008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0230    0.2675   -2.5488 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5457   -0.5256   -2.5584 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0186    2.4639    0.3744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3891    2.1424   -0.6463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2142    0.7781    3.7128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0135    2.3001   -2.8006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7386    3.9996   -3.1938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1947    4.0319   -5.4119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0834    3.3101   -6.7189 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 18  1  0  0  0  0
  2  9  2  0  0  0  0
  2 19  1  0  0  0  0
  3  5  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4  6  1  0  0  0  0
  4 13  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5 14  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6 14  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7  1  2  0  0  0  0
  7 17  1  0  0  0  0
  7 28  1  0  0  0  0
  8 13  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 11  1  0  0  0  0
 10  8  1  0  0  0  0
 12 10  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13  3  1  0  0  0  0
 14 11  1  0  0  0  0
 15 10  2  0  0  0  0
 16 11  2  0  0  0  0
 17  9  1  0  0  0  0
M  END
>  <ID>
Z2856434793

>  <Barcode>
0110705797

>  <Well>
E11

>  <Plate_ID>
816280-02

>  <MW>
237.26

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C11H15N3O3/c12-10(15)8-13-3-5-14(6-4-13)11(16)9-2-1-7-17-9/h1-2,7H,3-6,8H2,(H2,12,15)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
