
    alatis_output_mol

 31 30  0  0  0  0  0  0  0  0999 V2000
    3.4045   -1.5087   -0.4472 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3186    0.8886   -0.1805 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7715   -1.4650   -0.1626 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6861    0.8864    0.0979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5530   -2.3134   -1.6599 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1197   -3.6665   -0.5232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1652   -1.1049   -0.8025 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4986   -2.4649    0.3484 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6392   -0.3239   -0.4337 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1631   -0.2632   -0.7144 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3768   -0.2812    0.1095 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2927   -3.5614   -0.9256 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2356   -1.2472   -0.4094 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7611    0.7759   -1.2239 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9799   -2.4681   -0.6998 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7905    1.8339   -0.1761 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3541   -2.3758   -0.1657 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1975    1.8160    0.3101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6338   -2.2498   -1.9108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9701   -2.2986   -2.6073 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2665   -4.6035    0.0556 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7752   -3.7043   -1.4224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3744   -0.1745   -1.3701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8002   -1.0855    0.1111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1453   -2.4699    1.2551 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5143   -2.5527    0.7496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5326   -4.3723   -1.5418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5240    1.2232    1.9387 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7961    1.3801    1.5855 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1868   -1.0461    3.3167 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.9199   -0.3515    2.3864 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 15  1  0  0  0  0
  2  9  2  0  0  0  0
  2 16  1  0  0  0  0
  3  1  2  0  0  0  0
  3 17  1  0  0  0  0
  4  2  1  0  0  0  0
  4 18  1  0  0  0  0
  5  7  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6  8  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 13  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 13  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 10  1  0  0  0  0
 11  3  1  0  0  0  0
 11  4  2  0  0  0  0
 12  5  1  0  0  0  0
 12  6  1  0  0  0  0
 12 27  1  0  0  0  0
 13 10  1  0  0  0  0
 14 10  2  0  0  0  0
 28 29  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <ID>
Z126932654

>  <Barcode>
0110705902

>  <Well>
E02

>  <Plate_ID>
816280-01

>  <MW>
264.16

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H13N3O.2ClH/c14-10(9-1-3-11-4-2-9)13-7-5-12-6-8-13;;/h1-4,12H,5-8H2;2*1H

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


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

molecule_2
new index	atom name	original index
1	 Cl	7
2	 H 	18

molecule_3
new index	atom name	original index
1	 Cl	8
2	 H 	19


$$$$
