
    alatis_output_mol

 30 30  0  0  0  0  0  0  0  0999 V2000
    1.6720    0.7597    3.3885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0858   -4.3176   -0.0664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1691   -3.5155   -1.2066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5482   -3.7988    1.1157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7156   -2.1946   -1.1670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0928   -2.4761    1.1598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6956   -0.2340    0.0487 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6837    1.1822    1.9210 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.1724   -1.6629    0.0165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2313   -0.1305    0.3406 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6162    0.4707    1.1357 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5115    2.6324    1.8147 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7079    0.6234    1.3260 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2706   -0.7193   -0.3980 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8538   -0.3296    0.1234 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4773    1.2950    3.9366 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6966    0.9997    3.8624 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8588   -0.3321    3.4710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4386   -5.3403   -0.0993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5863   -3.9162   -2.1218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4865   -4.4225    1.9976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7907   -1.5876   -2.0613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6810   -2.0856    2.0821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8676    0.2450   -0.9391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2738    0.3364    0.8067 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6769    0.9131    1.4978 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5774    2.9166    2.1932 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5633    2.9198    0.8097 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6075    0.9694   -2.6857 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2097    1.2560   -1.4817 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  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2 19  1  0  0  0  0
  3  5  1  0  0  0  0
  3 20  1  0  0  0  0
  4  6  2  0  0  0  0
  4 21  1  0  0  0  0
  5  9  2  0  0  0  0
  5 22  1  0  0  0  0
  6  9  1  0  0  0  0
  6 23  1  0  0  0  0
  7 10  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 11  1  0  0  0  0
  8 26  1  0  0  0  0
  9  7  1  0  0  0  0
 10 13  1  0  0  0  0
 11 13  2  0  0  0  0
 12  8  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 14 10  2  0  0  0  0
 15 11  1  0  0  0  0
 15 14  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <ID>
Z2442288995

>  <Barcode>
9990531961

>  <Well>
F02

>  <Plate_ID>
816280-05

>  <MW>
239.71

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C11H13N3O.ClH/c1-8(12)11-13-10(14-15-11)7-9-5-3-2-4-6-9;/h2-6,8H,7,12H2,1H3;1H/t8-;/m0./s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


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

molecule_2
new index	atom name	original index
1	 Cl	9
2	 H 	22


$$$$
