
    alatis_output_mol

 30 31  0  0  1  0  0  0  0  0999 V2000
   -3.7141    0.7424   -0.1889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8288   -2.5647   -0.1646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1866   -0.4236   -6.6519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3979   -2.4488   -0.6894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3976    0.3678   -5.7792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2139   -1.4454    0.8094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6165   -1.4961   -5.9101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4131   -0.0301   -0.1031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1451   -1.0454   -1.2305 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.3764   -0.2737   -4.5516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6740    0.0181   -3.3181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7465   -0.0896    0.5099 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8703    0.9286   -3.1483 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1443   -1.4151   -4.6409 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0025   -0.9057   -2.3824 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6924    0.7110    0.3023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8453    0.4661   -1.2373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3923    1.7909   -0.1456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9352   -3.5321    0.3447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5285   -2.5779   -1.0064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4059   -0.2429   -7.6961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2541   -3.1895   -1.4867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6824   -2.6788    0.1075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8801    1.2875   -6.0137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3045   -1.4601    0.9395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8132   -1.7092    1.7960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2234   -2.3655   -6.1280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6887   -0.2295    0.6992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958    0.9897   -0.4405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0987   -0.9703   -1.5559 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  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  4  1  0  0  0  0
  2  6  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3  5  1  0  0  0  0
  3 21  1  0  0  0  0
  4  9  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5 10  2  0  0  0  0
  5 24  1  0  0  0  0
  6 12  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7  3  2  0  0  0  0
  7 14  1  0  0  0  0
  7 27  1  0  0  0  0
  8  9  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 15  1  0  0  0  0
  9 30  1  6  0  0  0
 10 11  1  0  0  0  0
 12  8  1  0  0  0  0
 13 11  2  0  0  0  0
 14 10  1  0  0  0  0
 15 11  1  0  0  0  0
M  END
>  <ID>
Z2940170964

>  <Barcode>
0110770209

>  <Well>
F10

>  <Plate_ID>
816280-08

>  <MW>
209.25

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C11H15NO3/c1-12-6-2-4-9(8-12)15-11(13)10-5-3-7-14-10/h3,5,7,9H,2,4,6,8H2,1H3/t9-/m1/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
