
    alatis_output_mol

 32 33  0  0  0  0  0  0  0  0999 V2000
   -7.7575    2.8104    0.3718 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8180   -3.6300    0.4121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3567    2.2314    0.4637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5177   -2.1021   -0.4496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0728   -0.4778    0.6150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5135   -1.1309   -0.5550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0827    0.4892    0.5102 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5065   -2.5517   -0.2062 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3598   -3.5344    0.2306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2811   -1.7668    0.1062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2998    0.1659   -0.0860 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2108   -3.0707    0.0395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2155   -2.8053    0.1475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9471   -2.3287   -0.1077 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2878   -4.3277    0.4837 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5472   -3.9662    0.3442 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3476    1.0187   -0.2854 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6311   -4.6167    0.6052 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9975    3.0743   -0.6620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8538    3.7030    0.9967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4979    2.0709    0.6926 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2491   -2.6377    0.5800 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0574   -4.2451    1.2861 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2967   -4.0727   -0.4650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6336    2.9385    0.0406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1207    2.0425    1.5173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7045   -3.1119   -0.8097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1443   -0.2181    1.1166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4709   -1.3910   -1.0049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8825    1.4868    0.8915 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7815   -1.5757   -0.5744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8279   -1.3719   -0.4009 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2  9  1  0  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  2 24  1  0  0  0  0
  3 17  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4 10  1  0  0  0  0
  4 27  1  0  0  0  0
  5 10  2  0  0  0  0
  5 28  1  0  0  0  0
  6  4  2  0  0  0  0
  6 11  1  0  0  0  0
  6 29  1  0  0  0  0
  7  5  1  0  0  0  0
  7 30  1  0  0  0  0
  8 12  1  0  0  0  0
  8 31  1  0  0  0  0
  9  8  2  0  0  0  0
 10 13  1  0  0  0  0
 11  7  2  0  0  0  0
 13 14  1  0  0  0  0
 14 12  1  0  0  0  0
 14 32  1  0  0  0  0
 15 12  2  0  0  0  0
 16 13  2  0  0  0  0
 17 11  1  0  0  0  0
 18  9  1  0  0  0  0
 18 15  1  0  0  0  0
M  END
>  <ID>
Z86948938

>  <Barcode>
0110705866

>  <Well>
H11

>  <Plate_ID>
816280-01

>  <MW>
246.27

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C13H14N2O3/c1-3-17-11-6-4-10(5-7-11)13(16)14-12-8-9(2)18-15-12/h4-8H,3H2,1-2H3,(H,14,15,16)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
