
    alatis_output_mol

 30 31  0  0  0  0  0  0  0  0999 V2000
   -4.8995   -0.4598    1.7721 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6535    1.2591    0.0904 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2622    0.0142   -0.0450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2678   -6.5310   -0.2591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7325    1.3415    0.2179 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4864   -1.1463   -0.0636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2982   -5.8659    0.5256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6863   -5.6199   -1.1997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5209    0.1775    0.2043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9121   -1.0781    0.0405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1886   -4.5824    0.0225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9735    0.3584    0.4891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3201   -3.4926    0.4157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5637   -0.6275    1.2563 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6759   -2.2594   -0.1074 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5627    1.3654    0.1137 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3932   -3.6478    1.2048 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0567   -4.4277   -1.0260 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5841   -0.2215    0.9541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9027    0.3570    2.4994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2045   -1.3897    2.2580 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2581    2.1620    0.1027 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3429   -0.0571   -0.1500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6097   -7.5521   -0.1587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1977    2.3154    0.3578 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9897   -2.1000   -0.2096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7308   -6.2615    1.3575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3887   -5.6641   -2.0208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9531   -1.2848    1.7283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6223   -2.1769   -0.4702 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  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  5  2  0  0  0  0
  2 22  1  0  0  0  0
  3  2  1  0  0  0  0
  3  6  2  0  0  0  0
  3 23  1  0  0  0  0
  4  7  1  0  0  0  0
  4 24  1  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 11  2  0  0  0  0
  7 27  1  0  0  0  0
  8  4  2  0  0  0  0
  8 18  1  0  0  0  0
  8 28  1  0  0  0  0
 10  9  2  0  0  0  0
 11 13  1  0  0  0  0
 12  9  1  0  0  0  0
 13 15  1  0  0  0  0
 14 12  1  0  0  0  0
 14 29  1  0  0  0  0
 15 10  1  0  0  0  0
 15 30  1  0  0  0  0
 16 12  2  0  0  0  0
 17 13  2  0  0  0  0
 18 11  1  0  0  0  0
M  END
>  <ID>
Z30272547

>  <Barcode>
0110705242

>  <Well>
E12

>  <Plate_ID>
816280-02

>  <MW>
244.25

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C13H12N2O3/c1-14-12(16)9-5-2-3-6-10(9)15-13(17)11-7-4-8-18-11/h2-8H,1H3,(H,14,16)(H,15,17)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
