
    alatis_output_mol

 35 36  0  0  0  0  0  0  0  0999 V2000
   -4.3241    1.7594   -1.1976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1653    4.7264   -2.6086 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9686   -0.8509    2.4116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5185    4.2055    0.0587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1644    4.9430   -1.2303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1880    0.2735    1.4905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4861    2.9339   -2.5423 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8624    0.9455    1.0404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8288    2.0668   -1.3199 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4484    1.2853    0.8375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2942    2.6897   -0.0175 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4017   -0.6251    2.0895 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8737    2.3719    0.1552 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7644    4.3666   -2.4340 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8388   -0.1713    1.8280 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9001    2.6070   -0.8210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4773    0.9356   -0.4911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7441    1.4506   -2.1602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7833    4.5158   -1.7332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2507    5.7981   -2.8177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6013    4.2080   -3.4704 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0223   -1.8572    1.9921 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8226   -0.8964    3.4947 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8835   -0.2992    2.1868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9390    4.6316    0.8877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5732    4.3933    0.2966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0745    4.9462   -1.3551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4465    5.9998   -1.1362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2592    0.1495    1.5599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4084    2.8328   -2.7328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9616    2.5237   -3.4422 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7895    1.4075    0.7370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3405    1.0952   -1.4804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8428    2.2683    0.8340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2232    2.9103   -0.4114 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  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 14  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3 15  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4 11  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5  4  1  0  0  0  0
  5 14  1  0  0  0  0
  5 27  1  0  0  0  0
  5 28  1  0  0  0  0
  6 10  1  0  0  0  0
  6 29  1  0  0  0  0
  7  9  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8 10  2  0  0  0  0
  8 32  1  0  0  0  0
  9 11  1  0  0  0  0
  9 33  1  0  0  0  0
 11 13  1  0  0  0  0
 11 34  1  0  0  0  0
 12  6  2  0  0  0  0
 13 10  1  0  0  0  0
 13 35  1  0  0  0  0
 14  7  1  0  0  0  0
 15  8  1  0  0  0  0
 15 12  1  0  0  0  0
M  END
>  <ID>
Z1694504496

>  <Barcode>
9990531681

>  <Well>
F10

>  <Plate_ID>
816280-06

>  <MW>
208.31

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C11H20N4/c1-9-7-14(2)5-4-11(9)13-10-6-12-15(3)8-10/h6,8-9,11,13H,4-5,7H2,1-3H3/t9-,11-/m0/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	15
2	C	14
3	C	13
4	C	11
5	C	12
6	C	5
7	C	10
8	C	4
9	C	9
10	C	1
11	C	7
12	N	2
13	N	6
14	N	8
15	N	3
16	H	33
17	H	34
18	H	35
19	H	32
20	H	31
21	H	30
22	H	28
23	H	29
24	H	27
25	H	23
26	H	24
27	H	25
28	H	26
29	H	17
30	H	21
31	H	22
32	H	16
33	H	20
34	H	19
35	H	18


> <ALATIS_Mixture_Map>

$$$$
