
    alatis_output_mol

 28 28  0  0  0  0  0  0  0  0999 V2000
    1.6049    0.0629    1.7536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8415   -1.3495    0.2803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5522   -0.0833   -0.1853 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6324   -1.3478   -0.1182 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1471    2.5693   -2.3418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7741    1.1728    0.2056 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7626    1.2940   -1.7232 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3467   -0.0301    0.2406 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.3312    2.6033   -3.7968 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6241    1.1688   -0.2523 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1322    0.9904    2.0031 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6865    0.0274    2.3467 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2336   -0.7720    2.0823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9277   -1.4351    1.3700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3388   -2.2298   -0.1434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6925   -0.1158   -1.2720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5534   -0.0458    0.2577 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1397   -2.1946    0.3591 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7081   -1.5226   -1.1985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9286    2.6200   -2.1489 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6121    3.4572   -1.9020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3036    2.0635   -0.1478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7943    1.2797    1.2970 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3396    0.4212   -2.2335 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8341    1.3051   -1.9655 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3439   -0.0510   -0.2201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1261    3.4366   -4.1673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1501    1.8080   -4.2166 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  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  4  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3  2  1  0  0  0  0
  3  6  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4  8  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5  7  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6 10  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7 10  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 10  1  0  0  0  0
  8 26  1  0  0  0  0
  9  5  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
M  END
>  <ID>
Z1245580425

>  <Barcode>
0110706267

>  <Well>
F04

>  <Plate_ID>
816280-07

>  <MW>
142.25

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C8H18N2/c1-8-4-2-3-6-10(8)7-5-9/h8H,2-7,9H2,1H3/t8-/m0/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
