
    alatis_output_mol

 31 32  0  0  0  0  0  0  0  0999 V2000
   -2.8781    5.4561    4.0516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6265   -1.3997   -2.6758 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7977   -0.9202   -2.3577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0431   -0.8973   -1.2795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5138    3.3560    4.1651 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6035    2.4744    3.5842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4915    3.9278    1.7067 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9282    1.8519    1.6695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8841    4.4990    3.4640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0696    2.7569    2.3253 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4393   -1.0162   -0.8470 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1284    0.0249    0.0625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3825    4.7945    2.2424 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3201    0.8809    0.7841 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3591    0.1005    0.1562 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8215    4.9401    4.2562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0854    6.2780    3.3586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4928    5.8829    4.9828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1079   -0.9053   -3.5232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7021   -2.4852   -2.8050 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6029   -1.5806   -2.6925 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0079    0.0982   -2.7050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7387   -1.5563   -0.7518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4503    0.1186   -1.2897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9249    3.1512    5.1485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3043    1.5796    4.1246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1084    4.2204    0.7320 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5017    1.3060    2.4288 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6555    2.4418    1.0978 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6455   -2.0270   -0.4606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6862    0.7904    0.7569 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  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  1  0  0  0  0
  2  4  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3 11  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4 11  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5  6  2  0  0  0  0
  5  9  1  0  0  0  0
  5 25  1  0  0  0  0
  6 10  1  0  0  0  0
  6 26  1  0  0  0  0
  7 10  2  0  0  0  0
  7 27  1  0  0  0  0
  8 14  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 13  2  0  0  0  0
 10  8  1  0  0  0  0
 11 12  1  0  0  0  0
 11 30  1  0  0  0  0
 13  7  1  0  0  0  0
 14 12  1  0  0  0  0
 14 31  1  0  0  0  0
 15 12  2  0  0  0  0
M  END
>  <ID>
Z437516460

>  <Barcode>
0110706018

>  <Well>
C06

>  <Plate_ID>
816280-03

>  <MW>
204.27

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C12H16N2O/c1-9-5-6-10(7-13-9)8-14-12(15)11-3-2-4-11/h5-7,11H,2-4,8H2,1H3,(H,14,15)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
