
    alatis_output_mol

 31 30  0  0  0  0  0  0  0  0999 V2000
   -3.6331   -1.0961    0.0489 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7034    2.5369    0.5068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5918    2.8974    0.0597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7629   -1.1940    0.2462 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3330   -0.0191    0.4224 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3839   -2.5248    0.3603 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6301   -1.2207    0.3496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4699    0.0302    0.2029 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6615    1.2123    0.3773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7388    1.2498    0.2614 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1857   -2.6451    1.5746 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8328    0.0339    0.0954 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3343    2.3935    0.4270 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2857    2.4951    0.2109 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3695   -1.7180   -0.8335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5079   -1.6974    0.9761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6981   -0.8034   -0.0377 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9557    3.6162    0.5205 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0822    2.0688    1.4400 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1866    2.0696   -0.3784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0021    2.5417   -0.9081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2082    2.5550    0.9152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6093    4.0105    0.0475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2860   -2.1397    0.1901 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4111   -0.0559    0.5011 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6963   -3.3951    0.2814 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0607   -2.5446   -0.5223 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7415   -3.5294    1.5197 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5493   -2.7106    2.4016 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3538   -0.1501   -2.9628 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4309   -0.3250   -2.1240 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2 13  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3 14  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  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  7  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7  5  2  0  0  0  0
  8 10  1  0  0  0  0
  9 10  2  0  0  0  0
 11  6  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12  8  1  0  0  0  0
 13  9  1  0  0  0  0
 14 10  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <ID>
Z1741959530

>  <Barcode>
9990531976

>  <Well>
E08

>  <Plate_ID>
816280-05

>  <MW>
233.70

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H15NO3.ClH/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3;/h4-5H,6,11H2,1-3H3;1H

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>
molecule_1
new index	atom name	original index
1	 C 	14
2	 C 	15
3	 C 	13
4	 C 	5
5	 C 	4
6	 C 	12
7	 C 	6
8	 C 	2
9	 C 	3
10	 C 	1
11	 N 	11
12	 O 	9
13	 O 	8
14	 O 	7
15	 H 	28
16	 H 	27
17	 H 	26
18	 H 	29
19	 H 	31
20	 H 	30
21	 H 	25
22	 H 	24
23	 H 	23
24	 H 	17
25	 H 	16
26	 H 	21
27	 H 	22
28	 H 	19
29	 H 	20

molecule_2
new index	atom name	original index
1	 Cl	10
2	 H 	18


$$$$
