
    alatis_output_mol

 34 36  0  0  0  0  0  0  0  0999 V2000
    0.8827    2.9878   -1.6667 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6020    2.0921   -0.8360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1019   -4.5880   -2.1148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6063   -5.8054   -2.8363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7747   -2.5509   -1.9321 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1904   -3.7943   -0.0494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8289   -1.2873   -1.0902 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2804   -2.4852    0.7696 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4168    2.5452   -1.6691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6351   -4.7094   -2.4757 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7153    1.1064   -0.4422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6400   -4.8421   -1.3638 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9345   -0.1268    0.3122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8383   -3.7387   -1.0970 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2079   -1.2692   -0.0586 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5991   -5.8748   -0.7056 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7849   -0.1815    1.2028 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5398    1.4469   -0.8838 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2640    3.8439   -2.2051 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6561    2.1155   -0.5980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7046   -3.8729   -2.6614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3976   -4.7206   -1.0785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5421   -6.7421   -2.2972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8681   -5.9121   -3.8844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5808   -2.4970   -2.6615 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1713   -2.5978   -2.4852 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0231   -4.6437    0.6215 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1451   -3.9668   -0.5622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7953   -1.2015   -0.5769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7318   -0.4702   -1.7984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5659   -2.4335    1.4651 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1953   -2.4913    1.3715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3241    2.8756   -2.1573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2771   -4.1900   -3.3565 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 19  1  0  0  0  0
  2 11  2  0  0  0  0
  2 20  1  0  0  0  0
  3 10  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4  3  1  0  0  0  0
  4 10  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5  7  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6  8  1  0  0  0  0
  6 14  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7 15  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8 15  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9  1  2  0  0  0  0
  9 18  1  0  0  0  0
  9 33  1  0  0  0  0
 10 12  1  0  0  0  0
 10 34  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14  5  1  0  0  0  0
 15 13  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>
Z32327641

>  <Barcode>
9990529554

>  <Well>
G06

>  <Plate_ID>
816280-04

>  <MW>
248.28

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C13H16N2O3/c16-12(10-3-4-10)14-5-7-15(8-6-14)13(17)11-2-1-9-18-11/h1-2,9-10H,3-8H2

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	18
2	C	16
3	C	7
4	C	8
5	C	10
6	C	12
7	C	13
8	C	11
9	C	17
10	C	5
11	C	6
12	C	2
13	C	1
14	N	4
15	N	3
16	O	15
17	O	14
18	O	9
19	H	34
20	H	32
21	H	20
22	H	21
23	H	22
24	H	23
25	H	24
26	H	25
27	H	28
28	H	29
29	H	30
30	H	31
31	H	26
32	H	27
33	H	33
34	H	19


> <ALATIS_Mixture_Map>

$$$$
