
    alatis_output_mol

 31 32  0  0  1  0  0  0  0  0999 V2000
    1.3578   -0.0650   -0.8072 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1536    0.1852    0.6664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2604   -2.3705   -1.3216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3772   -0.0808   -0.5918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9423   -2.4483   -0.8369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0693   -0.1644   -0.1028 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -1.5758   -0.8847 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9856   -1.1788   -1.2088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3375   -1.3454   -0.2222 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2217   -0.9515    1.0569 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.3757   -0.9892   -1.7219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2555   -0.5357    0.9097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9927   -2.0317   -2.3529 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0051   -1.4739    0.2148 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9654    0.0761   -1.5981 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6689    0.5147    1.3922 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5482   -2.0609    0.1999 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2743    0.3798   -1.2041 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5121    0.3400   -1.3757 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1109    0.0787    1.1901 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7646    1.1866    0.8732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6887   -3.2548   -1.7811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9152    0.8606   -0.4909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4030   -3.3867   -0.9446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6486    0.7281    0.3487 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9444   -1.9419   -1.8295 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3646   -1.9824   -0.7615 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3687   -1.2541    2.0993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5926   -2.9399   -2.5161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9253   -1.8523   -2.7031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5036   -2.3296   -0.0149 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2 10  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3  5  2  0  0  0  0
  3  8  1  0  0  0  0
  3 22  1  0  0  0  0
  4  6  1  0  0  0  0
  4 23  1  0  0  0  0
  5  9  1  0  0  0  0
  5 24  1  0  0  0  0
  6  9  2  0  0  0  0
  6 25  1  0  0  0  0
  7  1  1  0  0  0  0
  7 17  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8  4  2  0  0  0  0
  9 14  1  0  0  0  0
 10 12  1  0  0  0  0
 10 28  1  1  0  0  0
 11  8  1  0  0  0  0
 13 11  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 14 12  1  0  0  0  0
 14 31  1  0  0  0  0
 15 11  2  0  0  0  0
 16 12  2  0  0  0  0
 17 10  1  0  0  0  0
M  END
>  <ID>
Z1545313172

>  <Barcode>
9990529615

>  <Well>
B08

>  <Plate_ID>
816280-04

>  <MW>
234.26

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C12H14N2O3/c13-11(15)8-3-5-9(6-4-8)14-12(16)10-2-1-7-17-10/h3-6,10H,1-2,7H2,(H2,13,15)(H,14,16)/t10-/m0/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
