NMPC 1374-palmatine (19009)
  -OEChem-12162307173D

 48 51  0     0  0  0  0  0  0999 V2000
   -5.9807    0.1538   -0.0741 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6590   -2.1422    0.7582 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4898    1.5374    0.0803 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0198   -0.7400   -0.0333 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3070    1.2631    0.1053 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.4693    2.5254    0.2027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6955    2.4450   -0.6866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3177    0.0498    0.0785 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4880    1.2271   -0.3070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7932    0.0620    0.0776 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6571    1.3537    0.0992 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4653   -1.1157    0.0183 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4704    0.2230    0.0461 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8619   -1.0406    0.0029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8888    1.2483   -0.3662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5600   -1.0605    0.4382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6210    0.1197   -0.0131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9573   -1.0319    0.3945 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8717    0.3192    0.0348 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6680   -2.1905   -0.0557 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6605   -0.8298   -0.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0589   -2.0838   -0.0678 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9663   -3.0800   -0.2711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5806    1.3752   -0.5026 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7948    2.0565    1.3710 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6523   -0.6444   -1.3080 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1619    3.3642   -0.1083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7254    2.6448    1.2625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4072    2.3668   -1.7415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2906    3.3564   -0.5621 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0589    2.3601    0.1378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0084   -2.0936   -0.0318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3449    2.1774   -0.6917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0792   -1.9784    0.7693 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2173   -3.1801   -0.0910 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6654   -2.9843   -0.1117 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8948    2.1326    1.9891 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5372    1.4264    1.8708 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2166    3.0576    1.2461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5315   -3.9037    0.1734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0476   -3.4826   -0.7096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5803   -2.6133   -1.0477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3062    1.6193   -1.5346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3670    2.1952    0.1914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6649    1.2230   -0.4901 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3137    0.2498   -1.8408 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7316   -0.5695   -1.1501 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4472   -1.5383   -1.9056 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  1 24  1  0  0  0  0
  2 18  1  0  0  0  0
  2 23  1  0  0  0  0
  3 19  1  0  0  0  0
  3 25  1  0  0  0  0
  4 21  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  2  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7  9  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  2  0  0  0  0
 10 16  2  0  0  0  0
 11 13  2  0  0  0  0
 11 31  1  0  0  0  0
 12 14  2  0  0  0  0
 12 32  1  0  0  0  0
 13 14  1  0  0  0  0
 13 19  1  0  0  0  0
 14 20  1  0  0  0  0
 15 17  1  0  0  0  0
 15 33  1  0  0  0  0
 16 18  1  0  0  0  0
 16 34  1  0  0  0  0
 17 18  2  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 20 35  1  0  0  0  0
 21 22  1  0  0  0  0
 22 36  1  0  0  0  0
 23 40  1  0  0  0  0
 23 41  1  0  0  0  0
 23 42  1  0  0  0  0
 24 43  1  0  0  0  0
 24 44  1  0  0  0  0
 24 45  1  0  0  0  0
 25 37  1  0  0  0  0
 25 38  1  0  0  0  0
 25 39  1  0  0  0  0
 26 46  1  0  0  0  0
 26 47  1  0  0  0  0
 26 48  1  0  0  0  0
M  CHG  1   5   1
M  END
> <PUBCHEM_COMPOUND_CID>
19009

> <PUBCHEM_CONFORMER_RMSD>
0.8

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1
2

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
29
1 -0.36
11 0.21
12 -0.15
15 -0.15
16 -0.15
17 0.08
18 0.08
19 0.08
2 -0.36
20 -0.15
21 0.08
22 -0.15
23 0.28
24 0.28
25 0.28
26 0.28
3 -0.36
31 0.15
32 0.15
33 0.15
34 0.15
35 0.15
36 0.15
4 -0.36
5 -0.21
6 0.49
7 0.14
8 0.36
9 -0.14

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
4.4

> <PUBCHEM_PHARMACOPHORE_FEATURES>
8
1 1 acceptor
1 2 acceptor
1 3 acceptor
1 4 acceptor
6 13 14 19 20 21 22 rings
6 5 6 7 8 9 10 rings
6 5 8 11 12 13 14 rings
6 9 10 15 16 17 18 rings

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_CONFORMER_ID>
00004A4100000001

> <PUBCHEM_MMFF94_ENERGY>
123.4359

> <PUBCHEM_FEATURE_SELFOVERLAP>
40.687

> <PUBCHEM_SHAPE_FINGERPRINT>
10 15 18339630219091241384
10622 236 16910017918830632527
10835480 77 18411129260426342481
10906281 52 18198920132252864277
11045977 3 18412824702654587424
11135609 12 17896332487910779107
11488393 25 17272307755785481326
11524674 6 17346877841129506839
11578080 2 16807559566105416686
11963148 33 18410570695735374534
12166972 35 17749114404701070148
12236239 1 17489585675759409893
12403259 415 18409722942225913972
12516196 113 18272647948492804049
12596602 18 17417539123697493115
12788726 201 18188487952542776169
13402501 40 18410012139152597435
13533116 47 17604703361865946642
14341114 176 18410860953871543793
14790565 3 17688876757982913500
15131766 46 15265336372091603768
15183329 4 18337951195562327081
15196674 1 18410292540418963619
15352361 1 18409449198100217019
15361156 5 18113911480460269045
15927050 60 17621884614261692852
15961568 22 17603871152303333364
16087824 20 18191868930199621957
17349148 13 17675927599151546498
17492 89 18337953377242878202
17844677 252 18342463637884048264
1813 80 17240202136111884141
18608769 82 18411136957418491950
18681886 176 18335704975195911412
19141452 34 18411139130729979007
200 152 18131347466796447393
21236236 1 18269274569778842945
21267235 1 18410863139534987815
221357 26 18271527499179008836
221490 88 18335707199435050475
22149856 69 18267882725332917819
23402539 116 18334573559992118975
23559900 14 18409163311801891721
239999 70 18272654546005559022
3004659 81 18186801370398519284
335352 9 18408603644226734821
34934 24 18408597063920060163
350125 39 18410857642726026132
3545911 37 18335139765182428661
4073 2 18187087286107826347
4214541 1 18337110077255885481
4325135 7 18187088321616658470
5104073 3 18411418392922846345
5283173 99 18115018594233354853
59755656 215 18337111176830966454
59755656 520 16225769610134157699
9709674 26 18197218040259431654

> <PUBCHEM_SHAPE_MULTIPOLES>
506.61
15.26
2.81
0.82
0.21
0.43
0
2.93
1.73
-1.33
-0.11
0.55
-0.13
1.42

> <PUBCHEM_SHAPE_SELFOVERLAP>
1118.209

> <PUBCHEM_SHAPE_VOLUME>
274

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$
