
    alatis_output_mol

 31 32  0  0  0  0  0  0  0  0999 V2000
    1.6170   -2.3484    1.8310 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3091    4.6572   -2.2211 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2281    4.7951   -1.3567 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8576    3.4003   -2.4381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4849   -0.0260   -0.2308 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6881    3.6740   -0.7123 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3209    2.2834   -1.7919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7608   -1.2368    0.3329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7260    1.2374    0.1490 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2258    2.3951   -0.9201 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6734   -1.2757   -0.1854 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.4335    0.0743   -0.1058 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4795   -2.3880    0.3774 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6481    1.2142   -0.3443 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6618    0.0886    0.0201 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0266   -1.3960    2.1858 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6680   -2.5433    2.3329 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3076   -3.1381    2.1410 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7248    5.5261   -2.7247 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8018    5.7794   -1.1784 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6986    3.2761   -3.1154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5575   -0.1029   -1.3227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5058    0.0162    0.1640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1387    3.8412   -0.0296 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7620    1.3156   -2.0166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7956   -1.1812    1.4248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2891   -2.1507    0.0343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2848    2.0852   -0.2555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6829    1.3402    1.2412 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6204   -1.4749   -1.2658 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4217   -2.2811   -0.0162 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2 19  1  0  0  0  0
  3  6  1  0  0  0  0
  3 20  1  0  0  0  0
  4  7  2  0  0  0  0
  4 21  1  0  0  0  0
  5  8  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 10  2  0  0  0  0
  6 24  1  0  0  0  0
  7 10  1  0  0  0  0
  7 25  1  0  0  0  0
  8 11  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 14  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 11 30  1  0  0  0  0
 12 14  1  0  0  0  0
 13 11  1  0  0  0  0
 13 31  1  0  0  0  0
 15 12  2  0  0  0  0
M  END
>  <ID>
Z1212984951

>  <Barcode>
0110705987

>  <Well>
F12

>  <Plate_ID>
816280-03

>  <MW>
204.27

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C12H16N2O/c1-13-11-8-5-9-14(12(11)15)10-6-3-2-4-7-10/h2-4,6-7,11,13H,5,8-9H2,1H3/t11-/m0/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
