
    alatis_output_mol

 33 33  0  0  0  0  0  0  0  0999 V2000
   -6.2387    0.4581    1.3943 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5110    2.7242    1.9230 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0337    3.3918    0.6436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2505   -0.0959    0.4294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2963    2.3226    0.4878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8498   -0.0667    0.4843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8999    2.3503    0.5797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4959    1.0963    0.2191 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.9867    1.1038    0.4052 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5589    1.9843    0.9950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1656    1.1525    0.5548 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0556    2.0472    1.1857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8536    0.4110   -1.0287 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2689    1.1518    0.5376 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    2.8623    1.9601 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9422   -0.6026    1.5349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3331    0.4947    1.1992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0353    1.0237    2.3287 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4344    2.1059    1.8967 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9562    2.8147    2.8811 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5141    4.2941    1.0265 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9721    3.5378    0.0655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7473   -1.0520    0.3704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8350    3.2631    0.4627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3049   -0.9991    0.4687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4069    3.3119    0.6075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8642    2.1436    0.1460 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9588    1.3208    0.1970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5763   -0.5952   -0.9887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3506    0.8613   -1.8274 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7302    0.3857    0.0169 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4022   -1.3081    2.6043 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3864   -0.4582    2.1617 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  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 10  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3  2  1  0  0  0  0
  3 10  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4  6  2  0  0  0  0
  4  9  1  0  0  0  0
  4 23  1  0  0  0  0
  5  7  1  0  0  0  0
  5 24  1  0  0  0  0
  6 11  1  0  0  0  0
  6 25  1  0  0  0  0
  7 11  2  0  0  0  0
  7 26  1  0  0  0  0
  8  9  1  0  0  0  0
  8 27  1  0  0  0  0
  9  5  2  0  0  0  0
 10 12  1  0  0  0  0
 10 28  1  0  0  0  0
 11 14  1  0  0  0  0
 13  8  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 12  2  0  0  0  0
 32 33  1  0  0  0  0
M  END
>  <ID>
Z1891773393

>  <Barcode>
0110705916

>  <Well>
C12

>  <Plate_ID>
816280-01

>  <MW>
240.74

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C12H16N2O.ClH/c1-8(13)9-4-6-11(7-5-9)14-12(15)10-2-3-10;/h4-8,10H,2-3,13H2,1H3,(H,14,15);1H/t8-;/m0./s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>
molecule_1
new index	atom name	original index
1	 C 	16
2	 C 	3
3	 C 	4
4	 C 	9
5	 C 	10
6	 C 	14
7	 C 	13
8	 C 	11
9	 C 	7
10	 C 	2
11	 C 	8
12	 C 	1
13	 N 	12
14	 N 	5
15	 O 	6
16	 H 	31
17	 H 	32
18	 H 	33
19	 H 	18
20	 H 	19
21	 H 	20
22	 H 	21
23	 H 	23
24	 H 	24
25	 H 	29
26	 H 	28
27	 H 	25
28	 H 	17
29	 H 	26
30	 H 	27
31	 H 	22

molecule_2
new index	atom name	original index
1	 Cl	15
2	 H 	30


$$$$
