
    alatis_output_mol

 27 28  0  0  0  0  0  0  0  0999 V2000
   -2.2121   -5.2097   -1.0193 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708   -4.1001   -2.0559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2554   -4.9840    0.1493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2287   -2.7301   -1.4068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3886   -3.5775    0.7393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1128   -0.5459   -1.0284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6929   -1.2982   -0.0768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7506   -0.6658    1.3050 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3375    1.3202    0.4187 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792    0.7059   -0.7978 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1976    0.5814    1.4307 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333   -2.5712   -0.3302 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2889   -1.2037    2.2700 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7492    2.4635    0.5823 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2442   -5.2363   -0.6492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0105   -6.1799   -1.4851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0850   -4.1678   -2.5325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8218   -4.2273   -2.8440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4403   -5.7328    0.9272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2259   -5.1319   -0.2008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1163   -1.9613   -2.1796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2377   -2.6154   -0.9914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6065   -3.4665    1.4987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3632   -3.4600    1.2290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0035   -0.9119   -2.0445 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7922    1.2420   -1.5519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2579    1.0187    2.3354 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  4  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3  5  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4 12  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5 12  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6  7  2  0  0  0  0
  6 25  1  0  0  0  0
  8  7  1  0  0  0  0
  9 11  1  0  0  0  0
 10  6  1  0  0  0  0
 10  9  1  0  0  0  0
 10 26  1  0  0  0  0
 11  8  1  0  0  0  0
 11 27  1  0  0  0  0
 12  7  1  0  0  0  0
 13  8  2  0  0  0  0
 14  9  2  0  0  0  0
M  END
>  <ID>
Z277468432

>  <Barcode>
0110705911

>  <Well>
D08

>  <Plate_ID>
816280-01

>  <MW>
195.22

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H13N3O2/c13-8-7(6-10-9(14)11-8)12-4-2-1-3-5-12/h6H,1-5H2,(H2,10,11,13,14)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
