
    alatis_output_mol

 31 32  0  0  0  0  0  0  0  0999 V2000
   -1.3763   -0.2886    0.4531 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4711    2.4922   -9.3515 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3471    2.2099   -8.5812 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6449    1.7702   -9.1511 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4026    1.2134   -7.6032 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6948    0.7674   -8.1774 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0230    0.6191   -3.1886 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4383   -1.7479   -3.0974 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6509    0.6779   -4.4371 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0267   -1.6895   -4.3673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8655    0.0415   -0.9247 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5769    0.4808   -7.3845 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8944   -0.5988   -2.5237 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1475   -0.4751   -5.0550 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2359   -0.7177   -1.2856 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6795   -0.4686   -6.3518 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4503    0.8482   -1.6371 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9249    0.5739    0.8423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5465   -0.5032    1.1308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0441   -1.1530    0.4021 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4324    3.2756  -10.1031 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4249    2.7634   -8.7344 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5257    1.9875   -9.7478 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5108    0.9998   -7.0193 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6263    0.2316   -8.0226 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6539    1.5413   -2.7457 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3426   -2.7124   -2.6085 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7570    1.6493   -4.9139 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3672   -2.6131   -4.8289 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3949   -1.5690   -0.7618 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3356   -1.2205   -6.5429 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2 21  1  0  0  0  0
  3  5  1  0  0  0  0
  3 22  1  0  0  0  0
  4  6  2  0  0  0  0
  4 23  1  0  0  0  0
  5 12  2  0  0  0  0
  5 24  1  0  0  0  0
  6 12  1  0  0  0  0
  6 25  1  0  0  0  0
  7 13  1  0  0  0  0
  7 26  1  0  0  0  0
  8 13  2  0  0  0  0
  8 27  1  0  0  0  0
  9  7  2  0  0  0  0
  9 28  1  0  0  0  0
 10  8  1  0  0  0  0
 10 29  1  0  0  0  0
 12 16  1  0  0  0  0
 13 15  1  0  0  0  0
 14  9  1  0  0  0  0
 14 10  2  0  0  0  0
 15 11  1  0  0  0  0
 15 30  1  0  0  0  0
 16 14  1  0  0  0  0
 16 31  1  0  0  0  0
 17 11  2  0  0  0  0
M  END
>  <ID>
Z68404778

>  <Barcode>
9990529603

>  <Well>
C05

>  <Plate_ID>
816280-04

>  <MW>
226.28

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C14H14N2O/c1-11(17)15-13-7-9-14(10-8-13)16-12-5-3-2-4-6-12/h2-10,16H,1H3,(H,15,17)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
