
    alatis_output_mol

 31 32  0  0  0  0  0  0  0  0999 V2000
   -6.5864   -3.4478   -0.2574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4787   -4.0960   -2.4035 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9988   -0.3144   -1.0230 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0733   -0.2996    0.3721 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7655   -0.2907   -1.6869 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9097   -0.2576    1.1514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9020   -0.0508    0.0261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2709   -3.4463   -1.0350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3781   -0.2497   -0.8856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3346   -0.2302    0.5043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4176   -0.1527    0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7083   -2.0311   -1.1871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4770   -1.3770   -0.0010 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7170   -0.2239   -1.1812 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6012   -0.1798    1.0362 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4432   -1.5206   -2.2739 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3352   -2.8133   -0.7440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4515   -3.0756    0.7632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9937   -4.4619   -0.1849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5386   -4.1372   -2.9641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8524   -5.1199   -2.2984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1996   -3.5317   -3.0061 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9175   -0.3454   -1.6064 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0442   -0.3193    0.8618 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7094   -0.3013   -2.7697 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9603   -0.2427    2.2341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2333    0.4338    0.9497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2709    0.5360   -0.8223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5277   -4.0356   -0.4841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4495   -1.9052    0.8612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1340   -0.2593   -2.1027 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2  8  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3 23  1  0  0  0  0
  4  6  2  0  0  0  0
  4 24  1  0  0  0  0
  5  9  1  0  0  0  0
  5 25  1  0  0  0  0
  6 10  1  0  0  0  0
  6 26  1  0  0  0  0
  7 11  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 12  1  0  0  0  0
  8 29  1  0  0  0  0
  9 10  2  0  0  0  0
 10 15  1  0  0  0  0
 11 15  2  0  0  0  0
 12 13  1  0  0  0  0
 13  7  1  0  0  0  0
 13 30  1  0  0  0  0
 14  9  1  0  0  0  0
 14 11  1  0  0  0  0
 14 31  1  0  0  0  0
 16 12  2  0  0  0  0
M  END
>  <ID>
Z26781943

>  <Barcode>
9990531978

>  <Well>
E06

>  <Plate_ID>
816280-05

>  <MW>
217.27

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C12H15N3O/c1-8(2)12(16)13-7-11-14-9-5-3-4-6-10(9)15-11/h3-6,8H,7H2,1-2H3,(H,13,16)(H,14,15)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
