
    alatis_output_mol

 39 41  0  0  0  0  0  0  0  0999 V2000
    2.2388    0.5718   -2.4945 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1846    1.8911   -2.4333 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    0.5022   -2.0691 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4633    3.0101   -1.6873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3055   -0.3081   -0.0965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1094   -0.1081   -1.4644 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5857    0.2901   -0.5581 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3960    2.7542   -0.1802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2259   -0.2652    0.7954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8345    0.1387   -1.9849 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6646    0.1575    0.2411 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7825    1.3852    0.1700 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0616   -0.0281    0.2901 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2318    0.1652   -1.0767 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1817    0.2100    0.0116 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3422    1.4013   -0.1500 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2649    0.0294    0.9465 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5884    0.3427   -1.2255 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167    0.6618   -2.3742 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8434    1.4996   -2.9180 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0214   -0.2725   -3.1493 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2576    1.9443   -2.2108 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0820    2.0464   -3.5139 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6844    0.3438   -2.5235 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3361   -0.2523   -2.5016 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9848    3.9577   -1.8706 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4511    3.1266   -2.0905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3053   -0.5058    0.2819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9618   -0.1509   -2.1393 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1830   -0.7065   -0.3506 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6055    0.2806   -0.1510 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4136    2.7998    0.2303 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8353    3.5631    0.3040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3699   -0.4264    1.8580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6852    0.2877   -3.0486 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0453   -0.6920   -0.3350 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8454   -0.0501    1.3028 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8932    1.2374    1.2521 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9024    2.1584    0.3784 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3  7  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4  8  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5  9  2  0  0  0  0
  5 28  1  0  0  0  0
  6  5  1  0  0  0  0
  6 10  2  0  0  0  0
  6 29  1  0  0  0  0
  7 12  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8 12  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 13  1  0  0  0  0
  9 34  1  0  0  0  0
 10 14  1  0  0  0  0
 10 35  1  0  0  0  0
 11 15  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 16  1  0  0  0  0
 12 38  1  0  0  0  0
 13 17  1  0  0  0  0
 14 13  2  0  0  0  0
 14 18  1  0  0  0  0
 16 11  1  0  0  0  0
 16 39  1  0  0  0  0
 17 15  2  0  0  0  0
 18 15  1  0  0  0  0
M  END
>  <ID>
Z2856434855

>  <Barcode>
9990529572

>  <Well>
E12

>  <Plate_ID>
816280-04

>  <MW>
243.35

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C15H21N3/c1-18-14-10-6-5-9-13(14)17-15(18)11-16-12-7-3-2-4-8-12/h5-6,9-10,12,16H,2-4,7-8,11H2,1H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	8
2	C	18
3	C	16
4	C	17
5	C	15
6	C	14
7	C	13
8	C	12
9	C	11
10	C	10
11	C	6
12	C	9
13	C	5
14	C	4
15	C	1
16	N	7
17	N	2
18	N	3
19	H	22
20	H	23
21	H	24
22	H	38
23	H	39
24	H	34
25	H	35
26	H	36
27	H	37
28	H	33
29	H	32
30	H	30
31	H	31
32	H	28
33	H	29
34	H	27
35	H	26
36	H	19
37	H	20
38	H	25
39	H	21


> <ALATIS_Mixture_Map>

$$$$
