
    alatis_output_mol

 29 31  0  0  0  0  0  0  0  0999 V2000
   -2.1861    0.5081    0.8139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0441   -0.8740    0.9473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0863    1.3086    0.4837 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8098   -1.5034    0.7363 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7454   -2.4587   -1.3857 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8787   -2.5292    1.0212 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3503   -2.3505   -1.3061 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4869   -2.4149    1.1032 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9437   -2.6805   -0.3006 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1954   -2.2667    0.0342 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2373    0.2741   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5129   -2.5525   -0.2238 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7046   -2.3337   -0.0589 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1678    0.7015    0.3107 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2832   -0.6827    0.4231 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0975   -2.7904   -0.3676 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3853    1.2740    0.0451 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6176   -0.9333    0.1618 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1564    0.9718    0.9765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9105   -1.4728    1.2225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1881    2.3833    0.3791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7147   -2.5790    0.8362 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2242   -2.4772   -2.3655 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4627   -2.6078    1.9385 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7744   -2.2928   -2.2295 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0153   -2.4055    2.0863 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7446   -2.7176   -0.8583 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8591   -2.8483    0.9010 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3029    0.3823   -0.1554 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1 19  1  0  0  0  0
  2  1  1  0  0  0  0
  2  4  2  0  0  0  0
  2 20  1  0  0  0  0
  3 14  1  0  0  0  0
  3 21  1  0  0  0  0
  4 15  1  0  0  0  0
  4 22  1  0  0  0  0
  5  7  2  0  0  0  0
  5 12  1  0  0  0  0
  5 23  1  0  0  0  0
  6  8  1  0  0  0  0
  6 24  1  0  0  0  0
  7 13  1  0  0  0  0
  7 25  1  0  0  0  0
  8 13  2  0  0  0  0
  8 26  1  0  0  0  0
  9 12  1  0  0  0  0
 10 18  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 18  1  0  0  0  0
 11 29  1  0  0  0  0
 12  6  2  0  0  0  0
 13 10  1  0  0  0  0
 14 15  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16  9  3  0  0  0  0
 17 11  2  0  0  0  0
M  END
>  <ID>
Z26333434

>  <Barcode>
0110705861

>  <Well>
H06

>  <Plate_ID>
816280-01

>  <MW>
233.28

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C15H11N3/c16-9-12-5-7-13(8-6-12)10-18-11-17-14-3-1-2-4-15(14)18/h1-8,11H,10H2

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
