
    alatis_output_mol

 30 30  0  0  0  0  0  0  0  0999 V2000
    5.0393    0.2369    3.9162 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2404   -3.9884   -3.7391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3367   -4.4684   -2.5619 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3801   -3.1843   -3.6792 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2262   -4.1483   -1.3209 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9488   -2.8620   -2.4431 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0300   -1.5018    0.3742 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9275   -0.4593    3.2035 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3782   -3.3418   -1.2459 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0020   -3.0187    0.1071 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.6524   -1.1904    1.7056 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3546   -3.5766    0.1897 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7525   -0.4335    1.8687 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9787   -1.1951    3.8143 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2080   -1.6292    2.8600 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0147   -0.1358    3.5421 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9767    0.0472    5.0088 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9738    1.3312    3.7374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1940   -4.2405   -4.6984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2187   -5.0935   -2.6110 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8272   -2.8130   -4.5926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2349   -4.5359   -0.4218 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8336   -2.2417   -2.4253 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6192   -0.9924   -0.4152 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9946   -1.1015    0.3606 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3932   -3.4867    0.9128 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9700   -3.1780   -0.5562 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3121   -4.6158    0.0754 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8584    1.3467   -2.0810 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5504    1.3593   -0.8917 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  1  0  0  0  0
  2  4  2  0  0  0  0
  2 19  1  0  0  0  0
  3  5  2  0  0  0  0
  3 20  1  0  0  0  0
  4  6  1  0  0  0  0
  4 21  1  0  0  0  0
  5  9  1  0  0  0  0
  5 22  1  0  0  0  0
  6  9  2  0  0  0  0
  6 23  1  0  0  0  0
  7 11  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10  7  1  0  0  0  0
 10 26  1  0  0  0  0
 11 13  2  0  0  0  0
 12 10  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 14  8  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>
Z2442269480

>  <Barcode>
9990531995

>  <Well>
D12

>  <Plate_ID>
816280-05

>  <MW>
239.71

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C11H13N3O.ClH/c1-8-13-11(15-14-8)7-10(12)9-5-3-2-4-6-9;/h2-6,10H,7,12H2,1H3;1H/t10-;/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	5
8	C	4
9	C	8
10	C	7
11	C	2
12	N	9
13	N	1
14	N	3
15	O	6
16	H	25
17	H	23
18	H	24
19	H	30
20	H	28
21	H	29
22	H	27
23	H	26
24	H	17
25	H	18
26	H	19
27	H	20
28	H	21
29	Cl	10
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 	5
8	 C 	4
9	 C 	8
10	 C 	7
11	 C 	2
12	 N 	9
13	 N 	1
14	 N 	3
15	 O 	6
16	 H 	25
17	 H 	23
18	 H 	24
19	 H 	30
20	 H 	28
21	 H 	29
22	 H 	27
23	 H 	26
24	 H 	17
25	 H 	18
26	 H 	19
27	 H 	20
28	 H 	21

molecule_2
new index	atom name	original index
1	 Cl	10
2	 H 	22


$$$$
