
    alatis_output_mol

 33 35  0  0  0  0  0  0  0  0999 V2000
   -8.1199   -4.8147    0.2193 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7951   -4.2524   -1.0131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7710   -4.1580    1.3977 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0432    0.7231   -0.2778 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0531   -0.6718   -0.1970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1181   -3.0322   -1.0685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0934   -2.9371    1.3446 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8438    1.4461   -0.2784 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8556   -1.3936   -0.1219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9970   -1.0626    0.0456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4831   -1.2966    0.0339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7642   -2.3616    0.1108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3356    0.7009   -0.2015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3568   -0.6884   -0.1312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4129   -0.0945   -0.1244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7600   -0.0360   -0.1274 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6622    1.0510   -0.1812 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6470   -1.1584   -0.0904 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6425   -5.7669    0.2612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0618   -4.7661   -1.9325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0201   -4.5991    2.3582 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9883    1.2596   -0.3412 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9992   -1.2067   -0.1965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8622   -2.6119   -2.0382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8200   -2.4439    2.2744 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8376    2.5285   -0.3419 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8521   -2.4763   -0.0635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2731   -0.4295    0.8982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3019   -0.5019   -0.8478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1813   -1.7863    0.9688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2226   -1.9711   -0.7920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2451    0.8010    0.1708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0322    1.9849   -0.2369 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1 19  1  0  0  0  0
  2  6  1  0  0  0  0
  2 20  1  0  0  0  0
  3  7  2  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  2  0  0  0  0
  4 22  1  0  0  0  0
  5  9  2  0  0  0  0
  5 23  1  0  0  0  0
  6 12  2  0  0  0  0
  6 24  1  0  0  0  0
  7 12  1  0  0  0  0
  7 25  1  0  0  0  0
  8 13  1  0  0  0  0
  8 26  1  0  0  0  0
  9 14  1  0  0  0  0
  9 27  1  0  0  0  0
 10 11  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 16  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 10  1  0  0  0  0
 13 14  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 16 15  1  0  0  0  0
 16 32  1  0  0  0  0
 17 15  1  0  0  0  0
 17 33  1  0  0  0  0
 18 15  2  0  0  0  0
M  END
>  <ID>
Z57299529

>  <Barcode>
0110706281

>  <Well>
E07

>  <Plate_ID>
816280-07

>  <MW>
237.31

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C15H15N3/c1-2-6-12(7-3-1)10-11-16-15-17-13-8-4-5-9-14(13)18-15/h1-9H,10-11H2,(H2,16,17,18)

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	18
2	C	16
3	C	17
4	C	14
5	C	15
6	C	13
7	C	12
8	C	10
9	C	9
10	C	11
11	C	7
12	C	8
13	C	5
14	C	4
15	C	1
16	N	6
17	N	3
18	N	2
19	H	33
20	H	31
21	H	32
22	H	29
23	H	30
24	H	28
25	H	27
26	H	24
27	H	23
28	H	25
29	H	26
30	H	21
31	H	22
32	H	20
33	H	19


> <ALATIS_Mixture_Map>

$$$$
