
    alatis_output_mol

 23 23  0  0  0  0  0  0  0  0999 V2000
   -2.2763   -2.7382   -0.0593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7446   -2.5844    2.5387 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7441    1.8971   -0.0797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2470    0.1207   -0.0503 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8728   -0.4615   -0.0384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7758   -2.4655    0.0731 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3972   -1.0127   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1975   -3.0783    1.2811 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5785    1.2729   -0.0970 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7096    0.8916   -0.0753 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6568   -2.3531   -1.0125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8605   -2.2627    0.7366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4814   -3.8140   -0.0339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7863   -2.8891    2.6734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6716   -1.4968    2.6344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1772   -3.0188    3.3682 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7140    1.4214    0.0865 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7308    2.3959   -1.0515 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5379    2.6106    0.7216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3294    0.1504   -0.0489 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8536   -0.9159   -0.0263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2968   -2.9600   -0.7828 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8077   -2.9146    1.2714 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  8  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3 10  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4  7  1  0  0  0  0
  4 20  1  0  0  0  0
  5  7  2  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6 22  1  0  0  0  0
  8  6  1  0  0  0  0
  8 23  1  0  0  0  0
  9  4  2  0  0  0  0
 10  5  1  0  0  0  0
 10  9  1  0  0  0  0
M  END
>  <ID>
Z1437171658

>  <Barcode>
9990531701

>  <Well>
D06

>  <Plate_ID>
816280-06

>  <MW>
139.20

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C7H13N3/c1-6(8-2)7-4-9-10(3)5-7/h4-6,8H,1-3H3/t6-/m0/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
