
    alatis_output_mol

 32 33  0  0  0  0  0  0  0  0999 V2000
    2.5034    1.1932   -0.0111 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8878   -1.8028    0.0200 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5608    8.1883   -0.4449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6217    7.4737    0.2281 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0186    6.7987   -0.9482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6440    4.9612    0.0713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0121    0.0779    0.0218 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1263    0.6428    0.0114 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2469    6.1740    0.2500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1461    1.2120    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7143    2.5576   -0.0427 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0807    3.6983    0.0420 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3695   -1.0832    0.0459 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9220   -0.7277    0.0296 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9347    2.6810   -0.1341 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0646    0.7850   -0.8595 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0355    0.9170    0.9077 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5283    2.2796   -0.0991 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7075   -2.4326    0.8966 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7397   -2.3858   -0.8945 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9057   -1.4135    0.0508 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2966    8.9147   -1.2136 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2441    8.6601    0.2718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9277    7.8658    1.1999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5080    7.4253   -0.4199 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1025    6.6516   -0.9481 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6204    6.5434   -1.9361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3510    4.9103    0.9084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2298    5.0338   -0.8536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0941    0.0797    0.0172 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8615    6.1156    1.1585 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0630    3.6369    0.2570 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  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 14  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4  9  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5  9  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6 12  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7 10  1  0  0  0  0
  7 30  1  0  0  0  0
  8 10  2  0  0  0  0
  9  6  1  0  0  0  0
  9 31  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 12 32  1  0  0  0  0
 13  7  2  0  0  0  0
 14  8  1  0  0  0  0
 14 13  1  0  0  0  0
 15 11  2  0  0  0  0
M  END
>  <ID>
Z396380540

>  <Barcode>
0110705958

>  <Well>
H07

>  <Plate_ID>
816280-03

>  <MW>
207.28

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C11H17N3O/c1-8-10(7-13-14(8)2)11(15)12-6-9-4-3-5-9/h7,9H,3-6H2,1-2H3,(H,12,15)

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	10
2	C	11
3	C	13
4	C	14
5	C	15
6	C	9
7	C	5
8	C	2
9	C	12
10	C	1
11	C	6
12	N	7
13	N	3
14	N	4
15	O	8
16	H	21
17	H	22
18	H	20
19	H	25
20	H	24
21	H	23
22	H	27
23	H	28
24	H	29
25	H	30
26	H	31
27	H	32
28	H	18
29	H	19
30	H	16
31	H	26
32	H	17


> <ALATIS_Mixture_Map>

$$$$
