
    alatis_output_mol

 27 27  0  0  0  0  0  0  0  0999 V2000
    1.4577   -1.8371   -1.0427 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0022    1.2983   -0.2051 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2295    0.4380    0.0628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1530    0.4518    0.2987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9508   -1.9883    0.2584 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6726   -3.0506    1.0952 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7418   -1.0222    0.0300 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7876   -0.9493   -0.1953 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.4958   -2.0398    0.4764 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4948   -2.7803    2.4853 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0993   -2.8706   -1.0586 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3004   -1.4060   -2.0384 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.8546   -0.8563 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0575    2.2688    0.2949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1026    1.4757   -1.2828 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0293    0.6496   -0.6540 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6210    0.6632    1.0628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1086    0.8036   -0.1018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2021    0.4881    1.3947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1698   -2.1515   -0.8017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3435   -1.0089    0.5521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7457   -3.0244    0.8788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2932   -4.0540    0.8772 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9662   -1.4761    1.0050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9890   -1.0104   -1.2740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3401   -1.9915    1.4874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9571   -3.4879    2.9672 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  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  3  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  7  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  9  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6  5  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7  8  1  0  0  0  0
  7 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9  8  1  0  0  0  0
  9 26  1  0  0  0  0
 10  6  1  0  0  0  0
 10 27  1  0  0  0  0
M  END
>  <ID>
Z1396419547

>  <Barcode>
9990531662

>  <Well>
G10

>  <Plate_ID>
816280-06

>  <MW>
143.23

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C8H17NO/c1-7-3-2-4-8(7)9-5-6-10/h7-10H,2-6H2,1H3/t7-,8-/m0/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
