
    alatis_output_mol

 31 31  0  0  0  0  0  0  0  0999 V2000
   -1.2701    1.3028    0.5007 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1036   -1.9606   -3.4394 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6328   -3.0001   -2.4272 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6333   -0.5494   -3.0948 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9705   -2.5922   -0.9921 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9846   -0.1738   -1.6568 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9087   -1.2057   -0.5157 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2837    0.1193   -0.0781 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4472   -1.1873   -0.6334 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7712    0.0033    0.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1616    1.1881    0.3703 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1560   -1.0350   -0.1934 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6071    2.1142   -0.1494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    1.5535    1.5390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7812    0.3773    0.2252 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7466   -2.2321   -4.4406 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1991   -1.9720   -3.4817 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5521   -3.1490   -2.5311 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0992   -3.9660   -2.6522 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    0.1668   -3.7826 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5510   -0.4717   -3.2481 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691   -3.3369   -0.2951 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0612   -2.6077   -0.8687 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0786   -0.1297   -1.5650 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6266    0.8368   -1.4371 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4525   -1.5093   -1.4646 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6273   -1.9794    0.2117 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6766    0.4176    0.9005 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5067    0.9100   -0.8014 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8510   -0.9197    0.3516 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7314    2.0041    0.5544 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3  5  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4  6  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5  9  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6  9  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7  8  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 10  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9  7  1  0  0  0  0
  9 30  1  0  0  0  0
 11 10  1  0  0  0  0
 11 31  1  0  0  0  0
 12 10  2  0  0  0  0
M  END
>  <ID>
Z32016974

>  <Barcode>
0110705938

>  <Well>
B11

>  <Plate_ID>
816280-01

>  <MW>
169.27

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H19NO/c1-11-10(12)8-7-9-5-3-2-4-6-9/h9H,2-8H2,1H3,(H,11,12)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
