
    alatis_output_mol

 33 34  0  0  0  0  0  0  0  0999 V2000
    0.4888   -4.7116    1.2890 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5481    5.2876   -3.8915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3308   -1.5293    2.3239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9455   -2.8748    2.2340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6857   -0.5679    1.5486 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8272    3.5155   -3.4118 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3004    2.4965   -2.6091 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7338   -2.2972    0.6010 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6280    3.8269   -1.8431 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0843   -3.2675    1.3729 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9957    4.1877   -3.0355 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3443   -0.9519    0.6905 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9650    2.0933   -1.4465 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1313    2.7769   -1.0720 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1214    0.0578   -0.0499 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3888    1.0316   -0.7077 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8267    2.5114    0.0757 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3459   -0.0234   -0.0614 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3293   -5.3068    0.8731 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7421   -5.0904    2.2837 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3669   -4.8462    0.6476 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5212    5.6308   -3.5246 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6887    4.9348   -4.9184 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8643    6.1421   -3.8930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1105   -1.2390    3.0220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4466   -3.6116    2.8577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9586    0.4796    1.6611 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3244    3.7766   -4.3407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6018    1.9888   -2.9391 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5558   -2.5744   -0.0550 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5225    4.3469   -1.5085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5845    0.8228   -0.8860 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7999    1.5373    0.1898 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  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 11  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  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3 25  1  0  0  0  0
  4 10  1  0  0  0  0
  4 26  1  0  0  0  0
  5 12  2  0  0  0  0
  5 27  1  0  0  0  0
  6  7  2  0  0  0  0
  6 28  1  0  0  0  0
  7 13  1  0  0  0  0
  7 29  1  0  0  0  0
  8 12  1  0  0  0  0
  8 30  1  0  0  0  0
  9 14  1  0  0  0  0
  9 31  1  0  0  0  0
 10  8  2  0  0  0  0
 11  6  1  0  0  0  0
 11  9  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 13  2  0  0  0  0
 16 15  1  0  0  0  0
 16 32  1  0  0  0  0
 17 14  1  0  0  0  0
 17 33  1  0  0  0  0
 18 15  2  0  0  0  0
M  END
>  <ID>
Z33452549

>  <Barcode>
0110705216

>  <Well>
E04

>  <Plate_ID>
816280-01

>  <MW>
241.29

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C15H15NO2/c1-10-4-3-5-12(8-10)15(18)16-13-7-6-11(2)9-14(13)17/h3-9,17H,1-2H3,(H,16,18)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
