
    alatis_output_mol

 32 34  0  0  0  0  0  0  0  0999 V2000
   -3.5286    2.1783   -1.6986 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9392    0.9155   -2.3187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0291    2.4138   -0.2765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1624   -0.3071   -1.4302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2018    1.1821    0.6135 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3509    2.1029   -0.1827 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4248   -0.0206    0.1511 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6121    2.6722   -0.2225 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6395    0.6416    0.0971 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2482    0.7225    0.0083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6404   -0.1076   -0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9431    0.0746    0.0619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1475   -0.1709    0.0499 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7583    1.9726   -0.0868 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2410    0.7743   -0.0567 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7739   -1.2471    0.2313 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6070   -1.4108    0.2225 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6225    2.1006   -1.6900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2774    3.0441   -2.3222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3996    0.7423   -3.2983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8666    1.0569   -2.4962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9752    2.7104   -0.3047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5746    3.2567    0.1642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2408   -0.5103   -1.3842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6996   -1.1867   -1.8942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7495    1.3720    1.5944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2765    1.0385    0.7900 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4700    2.7257   -0.2990 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4055   -1.0954    0.3027 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7399    3.7417   -0.3686 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5764    0.1019    0.2040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0125   -0.9439    0.6078 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
  1 19  1  0  0  0  0
  2  4  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3  1  1  0  0  0  0
  3  5  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4 11  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5 11  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6 10  1  0  0  0  0
  6 28  1  0  0  0  0
  7 10  2  0  0  0  0
  7 29  1  0  0  0  0
  8  6  2  0  0  0  0
  8 30  1  0  0  0  0
  9  7  1  0  0  0  0
  9 31  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 32  1  0  0  0  0
 12 15  1  0  0  0  0
 13 15  2  0  0  0  0
 14  8  1  0  0  0  0
 14  9  2  0  0  0  0
 16 12  2  0  0  0  0
 17 13  1  0  0  0  0
 17 16  1  0  0  0  0
M  END
>  <ID>
Z57715447

>  <Barcode>
9990529626

>  <Well>
A06

>  <Plate_ID>
816280-04

>  <MW>
229.28

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C13H15N3O/c1-2-4-11(5-3-1)13-15-12(16-17-13)10-6-8-14-9-7-10/h6-9,11H,1-5H2

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
