
    alatis_output_mol

 28 28  0  0  0  0  0  0  0  0999 V2000
    0.0987    3.2319   -0.7568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4367   -5.1997   -0.1746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3253   -4.2302   -0.6419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2666   -4.8140    0.4819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0466   -2.8728   -0.4558 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0172   -3.4578    0.6724 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2682    0.0003   -0.0091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9346    2.5493    0.1420 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.8685   -2.4676    0.2053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5592    1.1119    0.3847 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0569    3.2732    1.4075 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5510    0.6969    1.0258 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5254   -0.6280    1.0208 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5588   -1.0718    0.3986 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2085    4.2814   -0.9535 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1013    3.2363   -0.2781 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1683    2.7003   -1.7305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6547   -6.2495   -0.3222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2323   -4.5302   -1.1512 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4226   -5.5670    0.8423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7564   -2.1514   -0.8326 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9322   -3.1839    1.1818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2035   -0.0102   -0.5515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9142    2.5842   -0.3845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1466    3.2556    1.9242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7866    2.8164    2.0018 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3060    0.0547   -1.8019 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8165    0.0282   -0.5241 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  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  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2 18  1  0  0  0  0
  3  5  1  0  0  0  0
  3 19  1  0  0  0  0
  4  6  2  0  0  0  0
  4 20  1  0  0  0  0
  5  9  2  0  0  0  0
  5 21  1  0  0  0  0
  6  9  1  0  0  0  0
  6 22  1  0  0  0  0
  7 10  2  0  0  0  0
  7 14  1  0  0  0  0
  7 23  1  0  0  0  0
  8 10  1  0  0  0  0
  8 24  1  0  0  0  0
  9 14  1  0  0  0  0
 10 12  1  0  0  0  0
 11  8  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 13  2  0  0  0  0
 14 13  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <ID>
Z2527301677

>  <Barcode>
9990531981

>  <Well>
E03

>  <Plate_ID>
816280-05

>  <MW>
224.69

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H12N4.ClH/c1-8(11)10-7-14(13-12-10)9-5-3-2-4-6-9;/h2-8H,11H2,1H3;1H/t8-;/m0./s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


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

molecule_2
new index	atom name	original index
1	 Cl	9
2	 H 	20


$$$$
