
    alatis_output_mol

 30 32  0  0  0  0  0  0  0  0999 V2000
    0.9841   -1.2637   -0.1124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9931   -0.0417   -1.1972 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3071    3.0963   -1.6054 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0684    3.5943   -1.2565 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3833   -0.6940    0.0958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3483   -0.0468   -0.5220 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5623    0.9986   -1.1170 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9482    1.1899   -0.0888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8530   -0.0685    1.2051 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2883    1.4675   -0.7717 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0229   -0.0549   -0.0451 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5924    1.7837   -1.5349 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0523    2.7991   -0.8381 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2445    0.6328   -0.4605 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1257    0.4462    0.7996 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7624   -2.0502    0.6173 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9501   -1.7300   -1.1052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9039   -0.8851   -1.8892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9039    0.8644   -1.8072 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1008    3.7430   -1.9587 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8449    4.6518   -1.3091 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6291   -0.6435    1.1637 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1241   -1.3179   -0.4116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7489   -1.0646   -0.4534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0793    0.5821   -1.0377 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7978   -0.0579   -1.1037 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0269    1.6728    0.8935 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6045    1.9410   -0.8082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0202   -1.0855    1.5816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4697    0.5337    2.0338 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 11  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2 11  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3  4  2  0  0  0  0
  3 12  1  0  0  0  0
  3 20  1  0  0  0  0
  4 13  1  0  0  0  0
  4 21  1  0  0  0  0
  5 14  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6  2  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7 10  1  0  0  0  0
  7 26  1  0  0  0  0
  8 14  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 11  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 14  1  0  0  0  0
 11  8  1  0  0  0  0
 12  7  2  0  0  0  0
 13 10  2  0  0  0  0
 15  6  1  0  0  0  0
 15  9  1  0  0  0  0
M  END
>  <ID>
Z1401276297

>  <Barcode>
0110705807

>  <Well>
E01

>  <Plate_ID>
816280-02

>  <MW>
205.26

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C11H15N3O/c1-5-14(10-7-12-3-4-13-10)8-11(1)2-6-15-9-11/h3-4,7H,1-2,5-6,8-9H2/t11-/m0/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
