
    alatis_output_mol

 33 34  0  0  0  0  0  0  0  0999 V2000
   -4.9744   -7.9961    0.1216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4432   -5.5353    0.1740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6852   -7.0786   -0.3615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5339   -4.4804    0.0688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7803   -6.0134   -0.4588 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1354   -3.7946    0.0516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6243   -2.3988   -0.9829 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6532   -2.5568    0.8186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1428   -1.1845   -0.1795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0213   -6.8480   -0.0270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1792   -4.6900   -0.2360 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0484   -0.1567    0.0998 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3270   -0.2628    0.5269 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2957   -3.6295   -0.2407 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2852   -1.2935    0.1562 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6506    0.9277   -0.3072 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5937   -8.7058    0.8642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1022   -8.5085   -0.8366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9583   -7.6579    0.4617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4737   -5.3168    0.4384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3322   -8.0921   -0.5395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8906   -3.4744    0.2831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7513   -6.2398   -0.7255 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6896   -3.9099   -0.8880 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3258   -4.6789    0.6707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1101   -2.4240   -1.9528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6933   -2.2931   -1.1929 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2001   -2.5264    1.8174 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7341   -2.6414    0.9593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3507   -0.2649   -0.7353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6868   -1.1248    0.7719 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8323   -1.0973    0.2747 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8463    0.5889    0.3695 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  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  4  1  0  0  0  0
  2 20  1  0  0  0  0
  3  5  2  0  0  0  0
  3 10  1  0  0  0  0
  3 21  1  0  0  0  0
  4 11  2  0  0  0  0
  4 22  1  0  0  0  0
  5 11  1  0  0  0  0
  5 23  1  0  0  0  0
  6  8  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7  9  1  0  0  0  0
  7 14  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 15  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 15  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10  2  2  0  0  0  0
 11 14  1  0  0  0  0
 13 12  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14  6  1  0  0  0  0
 15 12  1  0  0  0  0
 16 12  2  0  0  0  0
M  END
>  <ID>
Z1650868495

>  <Barcode>
9990529589

>  <Well>
D06

>  <Plate_ID>
816280-04

>  <MW>
219.29

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C12H17N3O/c1-10-2-4-11(5-3-10)14-6-8-15(9-7-14)12(13)16/h2-5H,6-9H2,1H3,(H2,13,16)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
