
    alatis_output_mol

 33 33  0  0  0  0  0  0  0  0999 V2000
   -1.0263   -2.1313    0.6033 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5627    0.8893   -2.4497 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0656    0.6584   -1.0215 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6937    2.3782   -2.7832 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3973    2.9644   -0.4307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3268    0.2883    0.0721 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2243    1.4887   -0.0291 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.5094    1.3958   -0.1204 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8093    0.8937    0.0586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0478    2.7572   -0.4397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3767    2.9641   -0.6254 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9473    3.1960   -1.8154 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7083   -0.4226    0.3518 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5637   -0.7734    0.3506 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083    3.7161   -0.5220 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6048   -2.8180   -0.1645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6911   -2.4630    1.6075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1338   -2.1876    0.5525 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4984    0.5765   -2.5358 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1579    0.2873   -3.1683 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0340   -0.4173   -0.7621 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1347    0.9646   -0.9623 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7690    2.6683   -2.7781 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2946    2.5579   -3.8049 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8730    3.6254    0.2873 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4752    3.2393   -0.3483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4054    0.2423    0.0208 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6689    1.3624    0.9834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0696    2.2083   -0.5711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7253    3.9102   -0.8380 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1044    4.2046   -2.0506 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8256   -2.7497   -1.8661 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1507   -2.6087   -0.5351 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  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  3  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3  7  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4  2  1  0  0  0  0
  4 12  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5  7  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6  8  2  0  0  0  0
  6 27  1  0  0  0  0
  7  9  1  0  0  0  0
  7 28  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12  5  1  0  0  0  0
 12 31  1  0  0  0  0
 13  9  2  0  0  0  0
 13 14  1  0  0  0  0
 14  6  1  0  0  0  0
 15 10  2  0  0  0  0
 32 33  1  0  0  0  0
M  END
>  <ID>
Z2377835233

>  <Barcode>
0110705781

>  <Well>
G03

>  <Plate_ID>
816280-02

>  <MW>
244.73

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H16N4O.ClH/c1-14-6-8(10(11)15)9(13-14)7-3-2-4-12-5-7;/h6-7,12H,2-5H2,1H3,(H2,11,15);1H/t7-;/m0./s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


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

molecule_2
new index	atom name	original index
1	 Cl	12
2	 H 	24


$$$$
