
    alatis_output_mol

 30 29  0  0  0  0  0  0  0  0999 V2000
    3.7795    0.5904    2.5798 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0567   -0.8956    2.3506 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2015    1.3680    1.3320 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3023   -1.3895    1.1065 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8508    4.8670   -0.2405 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2783    3.6493   -0.7148 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9616    1.2632    0.0393 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4573    0.8618    0.0739 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6437   -0.5984   -0.0918 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1079    4.6445    0.8665 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0884    3.3294    1.0623 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7887    2.7164    0.1230 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7037    0.7557    2.7949 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3602    0.9473    3.4571 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1492   -1.0412    2.1976 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7533   -1.4840    3.2435 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0404    2.4569    1.4766 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2918    1.2090    1.1797 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5675   -2.4565    0.9323 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2111   -1.3614    1.2759 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0507    5.8449   -0.6600 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8943    3.4638   -1.5831 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5129    0.9176   -0.9095 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3991    0.7867    0.8624 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9199    1.3623   -0.8036 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6470   -0.7829   -0.3265 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1376   -0.3124   -3.4266 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0671   -0.7207   -2.4977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2677   -0.3370    3.5752 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.6627   -0.4743    2.5845 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2  1  1  0  0  0  0
  2  4  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3  8  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4  9  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  5 21  1  0  0  0  0
  6 12  1  0  0  0  0
  6 22  1  0  0  0  0
  7 12  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8  7  1  0  0  0  0
  8 25  1  0  0  0  0
  9  8  1  0  0  0  0
  9 26  1  0  0  0  0
 10 11  2  0  0  0  0
 12 11  1  0  0  0  0
 27 28  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <ID>
Z1891776952

>  <Barcode>
9990531949

>  <Well>
G11

>  <Plate_ID>
816280-05

>  <MW>
239.15

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C8H14N4.2ClH/c1-2-4-9-8(3-1)7-12-6-5-10-11-12;;/h5-6,8-9H,1-4,7H2;2*1H/t8-;;/m1../s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


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

molecule_2
new index	atom name	original index
1	 Cl	9
2	 H 	21

molecule_3
new index	atom name	original index
1	 Cl	10
2	 H 	22


$$$$
