
    alatis_output_mol

 31 32  0  0  0  0  0  0  0  0999 V2000
    7.4543    0.5533   -0.4238 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0984    4.1317   -1.6130 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7218    4.3077   -1.6284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4120   -2.7758    3.0762 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6320    2.9087   -1.2132 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8801    3.2653   -1.2338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4479   -2.5925    1.7174 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5151   -2.0124    3.7441 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2168    1.1499   -0.5089 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7958    1.8448   -0.8220 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4004    2.0287   -0.8199 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4156   -0.0936   -0.1351 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2594   -1.0700    1.7968 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3727   -1.7516    1.0636 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3443   -1.1404    3.1350 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1461   -0.1775    1.2118 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0427   -0.8805   -1.0002 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6237    0.9736   -0.3939 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7386   -0.2444   -0.2156 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1063    0.2026   -1.2344 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0643    0.7067    0.4738 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7560    4.9434   -1.9137 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2955    5.2562   -1.9462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0645   -3.4723    3.5831 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7137    2.7819   -1.2094 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8135    3.4616   -1.2657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1504   -3.1330    1.0905 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6273   -2.0855    4.8217 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9418    1.3896   -1.5453 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8885    1.9681    0.1445 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6844    0.3557    1.8759 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2  5  2  0  0  0  0
  2 22  1  0  0  0  0
  3  2  1  0  0  0  0
  3  6  2  0  0  0  0
  3 23  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  4 24  1  0  0  0  0
  5 10  1  0  0  0  0
  5 25  1  0  0  0  0
  6 11  1  0  0  0  0
  6 26  1  0  0  0  0
  7 14  1  0  0  0  0
  7 27  1  0  0  0  0
  8 15  2  0  0  0  0
  8 28  1  0  0  0  0
  9 12  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 11  2  0  0  0  0
 11 18  1  0  0  0  0
 12 16  1  0  0  0  0
 13 16  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  1  0  0  0  0
 16 31  1  0  0  0  0
 17 12  2  0  0  0  0
 18  9  1  0  0  0  0
M  END
>  <ID>
Z53834613

>  <Barcode>
0110705794

>  <Well>
F11

>  <Plate_ID>
816280-02

>  <MW>
243.27

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C13H13N3O2/c1-10-5-2-3-6-11(10)18-9-12(17)16-13-14-7-4-8-15-13/h2-8H,9H2,1H3,(H,14,15,16,17)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
