
    alatis_output_mol

 29 29  0  0  0  0  0  0  0  0999 V2000
   -3.7987    1.4027   -1.5713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5596    0.9888   -0.1267 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6685    0.9755    0.8162 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8790   -0.8299   -0.7269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7270    0.8532    0.7621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5220   -0.9471   -0.7807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3673   -1.5172   -0.4545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7479   -1.7690    0.1699 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4874    0.0942    0.1205 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3650   -0.1163   -0.0278 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8736    0.2827    0.1006 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7603   -0.2445   -0.0125 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2441   -3.0527   -0.1938 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4235    2.3022   -1.5996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8576    1.6293   -2.0817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3155    0.6218   -2.1370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1080    1.8323    0.4046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5246    0.8470    0.3706 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1020    1.7600    1.4300 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4849   -1.4778   -1.3538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3070    1.5220    1.3898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9332   -1.6965   -1.4499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7353   -2.3657   -0.1591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4429   -1.5562   -1.5479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6877   -1.7180    1.2623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4791   -1.0283   -0.1722 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2326    0.7290    0.9411 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3939   -0.5559   -0.1350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1052   -3.1570    0.2494 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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 12  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3  5  1  0  0  0  0
  3 19  1  0  0  0  0
  4  6  2  0  0  0  0
  4 20  1  0  0  0  0
  5 10  2  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
  7 12  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8  7  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9  3  2  0  0  0  0
  9  4  1  0  0  0  0
 11  9  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 10  1  0  0  0  0
 13  8  1  0  0  0  0
 13 29  1  0  0  0  0
M  END
>  <ID>
Z752989138

>  <Barcode>
9990531670

>  <Well>
G02

>  <Plate_ID>
816280-06

>  <MW>
180.25

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H16N2O/c1-2-12(7-8-13)10-5-3-9(11)4-6-10/h3-6,13H,2,7-8,11H2,1H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
