
    alatis_output_mol

 31 32  0  0  1  0  0  0  0  0999 V2000
   -0.4452    2.9350    1.3285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4104    0.7570    2.1526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6966    0.1623   -2.6005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7190    2.6539   -5.9515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7388    1.7448   -4.8950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7726    4.0076   -5.6607 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8820    0.7663    0.9735 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7893    3.5985   -3.3982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7678    2.2141   -3.5779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1504    0.7385   -0.1330 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0420    1.5452   -1.3818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4551    1.4300    1.2020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8177    4.5035   -4.4084 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8191    1.3228   -2.4667 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9494    2.3718   -1.4143 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4598    3.3357    1.2256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0612    3.2226    2.3130 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1820    3.4330    0.5858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5642   -0.2982    1.9049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0254    0.8129    3.1759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3884    1.2497    2.1298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1617   -0.6332   -3.1281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0289   -0.2146   -1.6332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5976    0.4417   -3.1589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6531    2.3139   -6.9786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6715    0.6840   -5.1103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7741    4.7516   -6.4528 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7607    1.3904    0.8447 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0932   -0.1630    1.4926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8349    4.0354   -2.4043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5449   -0.2589   -0.2883 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  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 12  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3 14  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  2  0  0  0  0
  4 25  1  0  0  0  0
  5  9  1  0  0  0  0
  5 26  1  0  0  0  0
  6  4  1  0  0  0  0
  6 13  2  0  0  0  0
  6 27  1  0  0  0  0
  7 10  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8  9  2  0  0  0  0
  8 30  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 31  1  6  0  0  0
 12  7  1  0  0  0  0
 12 10  1  0  0  0  0
 13  8  1  0  0  0  0
 14 11  1  0  0  0  0
 15 11  2  0  0  0  0
M  END
>  <ID>
Z1506050651

>  <Barcode>
9990531696

>  <Well>
D01

>  <Plate_ID>
816280-06

>  <MW>
204.27

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C12H16N2O/c1-12(2)7-10(12)11(15)14(3)9-5-4-6-13-8-9/h4-6,8,10H,7H2,1-3H3/t10-/m1/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
