
    alatis_output_mol

 30 29  0  0  0  0  0  0  0  0999 V2000
    1.3692    2.6926    0.1202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5417   -2.7452    0.0323 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3354    0.2094    0.4083 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6718   -1.0160    0.4324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7703    1.3371    0.0396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2359    0.3030    0.5284 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6234    1.3926    0.1966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4520    0.1075    0.0646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7141   -1.0971    0.2489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7640    0.2395    0.8504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6516   -0.8981   -0.1893 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8563    0.1220   -0.1559 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4001    0.2970    2.0162 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2388   -2.3517    0.2307 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0903    2.6472   -0.7246 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9312    2.8672    1.0610 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6857    3.5499   -0.0542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5725   -3.8533   -0.0037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1771   -2.4122    0.8763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9194   -2.3657   -0.9399 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4117    0.2326    0.5318 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2486   -1.9220    0.5759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3285    2.2511   -0.1257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8396    0.4104    1.4578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4214    1.1926   -0.1113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6622   -0.8051   -0.4414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5532   -1.7266    0.4411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1861    0.0992   -1.1323 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8080   -0.9072   -2.8256 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6275   -1.2426   -1.7715 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  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 14  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  4  2  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
  5  8  1  0  0  0  0
  5 23  1  0  0  0  0
  6 10  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7  3  1  0  0  0  0
  7  5  2  0  0  0  0
  9  8  2  0  0  0  0
 10 12  1  0  0  0  0
 11  6  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12  8  1  0  0  0  0
 12 28  1  0  0  0  0
 13 10  2  0  0  0  0
 14  9  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <ID>
Z235341991

>  <Barcode>
0110705243

>  <Well>
H07

>  <Plate_ID>
816280-02

>  <MW>
230.70

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H14N2O2.ClH/c1-7-3-4-9(14-2)8(5-7)12-10(13)6-11;/h3-5H,6,11H2,1-2H3,(H,12,13);1H

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


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

molecule_2
new index	atom name	original index
1	 Cl	10
2	 H 	20


$$$$
