
    alatis_output_mol

 30 31  0  0  0  0  0  0  0  0999 V2000
   -2.3902   -0.8856    3.2834 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6183   -7.1464   -0.7378 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1111   -7.2360   -0.4258 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3575   -5.6616   -0.9510 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5523   -5.8162   -0.0593 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4531   -3.5192   -0.0320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3066   -1.1709    2.3241 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2527   -5.0237    0.1122 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1432   -2.7581    0.0215 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4579   -1.9423    1.5154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1543   -1.8359    2.6708 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6515   -2.5709    1.2893 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3993   -0.8349    1.0334 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5997   -2.4001   -1.0216 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2239   -1.3530    0.4894 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1916   -0.3009    2.8182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0120   -0.3208    4.1399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8263   -1.8207    3.6476 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3323   -7.7545   -1.6005 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0425   -7.5013    0.1263 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2944   -7.9368    0.3953 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6715   -7.5949   -1.2964 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6682   -5.3641   -1.9605 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3003   -5.4116   -0.8271 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1689   -5.7985    0.8442 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1550   -5.4042   -0.8790 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1126   -3.1480    0.7617 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9432   -3.2748   -0.9826 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8298   -5.2396    1.1028 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1126   -2.9475    2.1048 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  4  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3  2  1  0  0  0  0
  3  5  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4  8  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5  8  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6  9  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7 11  1  0  0  0  0
  8  6  1  0  0  0  0
  8 29  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  2  0  0  0  0
 12 10  1  0  0  0  0
 12 30  1  0  0  0  0
 13  7  2  0  0  0  0
 14  9  2  0  0  0  0
 15 10  1  0  0  0  0
 15 13  1  0  0  0  0
M  END
>  <ID>
Z729726784

>  <Barcode>
0110705995

>  <Well>
E05

>  <Plate_ID>
816280-03

>  <MW>
209.25

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H15N3O2/c1-7-11-10(15-13-7)12-9(14)6-8-4-2-3-5-8/h8H,2-6H2,1H3,(H,11,12,13,14)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
