
    alatis_output_mol

 31 31  0  0  0  0  0  0  0  0999 V2000
    1.1839   -2.8291   -1.0776 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1203   -2.0674   -3.1956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3344    0.0863    1.4657 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8301    0.7191    2.4376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9625    1.2515    2.2355 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167    1.8567    3.1712 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8573   -1.5974   -1.9354 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0162   -0.5843   -1.1212 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8101   -0.0405    0.0988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3784    0.5773   -1.9507 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0937    0.3283    1.2312 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0279    0.1481    0.0229 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2506    1.5158    3.4509 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2734   -3.3839   -0.8237 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8534   -3.5073   -1.6160 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6798   -2.5551   -0.1417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0690   -1.2378   -3.8850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8437   -2.5240   -2.9426 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7121   -2.8131   -3.7344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4006   -0.8371    2.0539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8873   -0.0571    0.5385 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8596    1.0077    2.2057 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8676   -0.1709    3.0784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9982    1.0116    2.4952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9716    2.1603    1.6216 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6127    2.0574    4.1257 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1395    2.7791    2.5788 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8039   -1.1346   -2.2429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8842   -1.1086   -0.7955 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4785    1.0421   -2.2628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8540    1.2615   -1.3639 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  7  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3 11  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4 11  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5  3  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6  4  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7  8  1  0  0  0  0
  7 28  1  0  0  0  0
  8  9  1  0  0  0  0
  8 29  1  0  0  0  0
 10  8  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11  9  1  0  0  0  0
 12  9  2  0  0  0  0
 13  5  1  0  0  0  0
 13  6  1  0  0  0  0
M  END
>  <ID>
Z927400026

>  <Barcode>
0110705213

>  <Well>
D03

>  <Plate_ID>
816280-07

>  <MW>
186.26

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H18N2O2/c1-7(2)8(10)9(12)11-3-5-13-6-4-11/h7-8H,3-6,10H2,1-2H3/t8-/m0/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
