PDB Code: SBX

X-PLOR files

Heterogen file generated from the PDB Het Group Dictionary



PICTURE   SBX
      C13  C9--C8---N1        O2-C15-C16-C17-C18
      |  / ||  ||  /  \      /   |          /   \
  C14-C10  O4  O3 C6   C2--C7    C24       C19   C23
      |           |  O |   ||   /   \      |   O |
  C12-C11         C5   C3  O1  C25   C29   C20   C22
                   \  /        |     |      \   /
                    C4         C26   C28     C21
                                \   /  <--saturated
                                 C27
END

RESIDUE   SBX     74
CONECT      N1     3 C2   C6   C8
CONECT      C2     4 C7   C3   N1   H2
CONECT      C3     4 C2   C4  1H3  2H3
CONECT      C4     4 C3   C5  1H4  2H4
CONECT      C5     4 C4   C6  1H5  2H5
CONECT      C6     4 C5   N1  1H6  2H6
CONECT      C7     3 C2   O1   O2
CONECT      O1     1 C7
CONECT      O2     2 C7   C15
CONECT      C8     3 N1   C9   O3
CONECT      O3     1 C8
CONECT      C9     3 C8   C10  O4
CONECT      O4     1 C9
CONECT      C10    4 C9   C11  C13  C14
CONECT      C11    4 C10  C12 1H11 2H11
CONECT      C12    4 C11 1H12 2H12 3H12
CONECT      C13    4 C10 1H13 2H13 3H13
CONECT      C14    4 C10 1H14 2H14 3H14
CONECT      C15    4 O2   C16  C24  H15
CONECT      C16    4 C15  C17 1H16 2H16
CONECT      C17    4 C16  C18 1H17 2H17
CONECT      C18    3 C17  C19  C23
CONECT      C19    3 C18  C20  H19
CONECT      C20    3 C19  C21  H20
CONECT      C21    3 C20  C22  H21
CONECT      C22    3 C21  C23  H22
CONECT      C23    3 C18  C22  H23
CONECT      C24    4 C15  C25  C29  H24
CONECT      C25    4 C24  C26 1H25 2H25
CONECT      C26    4 C25  C27 1H26 2H26
CONECT      C27    4 C26  C28 1H27 2H27
CONECT      C28    4 C27  C29 1H28 2H28
CONECT      C29    4 C24  C28 1H29 2H29
CONECT      H2     1 C2
CONECT     1H3     1 C3
CONECT     2H3     1 C3
CONECT     1H4     1 C4
CONECT     2H4     1 C4
CONECT     1H5     1 C5
CONECT     2H5     1 C5
CONECT     1H6     1 C6
CONECT     2H6     1 C6
CONECT     1H11    1 C11
CONECT     2H11    1 C11
CONECT     1H12    1 C12
CONECT     2H12    1 C12
CONECT     3H12    1 C12
CONECT     1H13    1 C13
CONECT     2H13    1 C13
CONECT     3H13    1 C13
CONECT     1H14    1 C14
CONECT     2H14    1 C14
CONECT     3H14    1 C14
CONECT      H15    1 C15
CONECT     1H16    1 C16
CONECT     2H16    1 C16
CONECT     1H17    1 C17
CONECT     2H17    1 C17
CONECT      H19    1 C19
CONECT      H20    1 C20
CONECT      H21    1 C21
CONECT      H22    1 C22
CONECT      H23    1 C23
CONECT      H24    1 C24
CONECT     1H25    1 C25
CONECT     2H25    1 C25
CONECT     1H26    1 C26
CONECT     2H26    1 C26
CONECT     1H27    1 C27
CONECT     2H27    1 C27
CONECT     1H28    1 C28
CONECT     2H28    1 C28
CONECT     1H29    1 C29
CONECT     2H29    1 C29
END
HET    SBX             74
HETNAM     SBX 1-CYCLOHEXYL-3-PHENYL-1-PROPYL-1-(3,3-
HETNAM   2 SBX DIMETHYL-1,2-DIOXYPENTYL)-2-PIPERIDINE
HETNAM   3 SBX CARBOXYLATE
FORMUL      SBX    C28 H41 N1 O4