/IDENT 1 1 ??? /NAME 1 1 /HISTORY 1 1 editor.tk 3.00 000 08/17/1998 norbertk 8/28/1998 12:15:45 IP32-xugu /MOLECULS 1 1 1 1 36 /VALENCE 1 1 1 /ATOMS 36 36 1 6 0 1 3 2 6 0 4 6 3 6 0 7 9 4 6 0 10 12 5 6 0 13 15 6 6 0 16 18 17 1 0 19 19 18 1 0 20 20 19 1 0 21 21 20 1 0 22 22 21 6 0 23 25 22 7 2 26 28 23 6 0 29 31 24 6 0 32 34 25 7 2 35 37 26 6 0 38 40 27 6 0 41 43 28 6 0 44 46 29 6 0 47 49 30 6 0 50 52 31 6 0 53 55 32 6 0 56 59 33 6 0 60 63 34 8 4 64 64 35 9 6 65 65 36 9 6 66 66 37 9 6 67 67 38 9 6 68 68 39 9 6 69 69 40 9 6 70 70 41 1 0 71 71 42 1 0 72 72 43 1 0 73 73 44 1 0 74 74 45 1 0 75 75 46 1 0 76 76 /BONDS 76 76 1 1 2 2 2 1 4 1 3 1 7 1 4 2 1 2 5 2 3 1 6 2 8 1 7 3 2 1 8 3 5 2 9 3 9 1 10 4 1 1 11 4 6 2 12 4 10 1 13 5 3 2 14 5 6 1 15 5 11 1 16 6 4 2 17 6 5 1 18 6 12 1 19 7 1 1 20 8 2 1 21 9 3 1 22 10 4 1 23 11 5 1 24 11 13 2 25 11 22 1 26 12 6 1 27 12 14 1 28 12 15 1 29 13 11 2 30 13 14 1 31 13 23 1 32 14 12 1 33 14 13 1 34 14 24 2 35 15 12 1 36 15 16 1 37 15 31 1 38 16 15 1 39 16 17 2 40 16 21 1 41 17 16 2 42 17 18 1 43 17 32 1 44 18 17 1 45 18 19 2 46 18 33 1 47 19 18 2 48 19 20 1 49 19 34 1 50 20 19 1 51 20 21 2 52 20 35 1 53 21 16 1 54 21 20 2 55 21 36 1 56 22 11 1 57 22 25 1 58 22 26 1 59 22 27 1 60 23 13 1 61 23 28 1 62 23 29 1 63 23 30 1 64 24 14 2 65 25 22 1 66 26 22 1 67 27 22 1 68 28 23 1 69 29 23 1 70 30 23 1 71 31 15 1 72 32 17 1 73 33 18 1 74 34 19 1 75 35 20 1 76 36 21 1 /BLABEL 7 7 1 2 2048 3 5 2048 4 6 4096 11 13 2048 16 17 2048 18 19 2048 20 21 2048 /2DCOORD 38 38 45 67.8379 349.989 -73.4 269.5 1 92 112 2 92 157 3 130.9711 179.5 4 130.9711 89.5 5 169.9423 157 6 169.9423 112 7 67.8379 98.05 8 67.8379 170.95 9 130.9711 207.4 10 130.9711 61.6 11 208.9134 179.5 12 208.9134 89.5 13 247.8846 157 14 247.8846 112 15 208.9134 44.5 16 247.8845 22 17 286.8557 44.5 18 325.8268 22 19 325.8268 -23 20 286.8557 -45.5 21 247.8845 -23 22 208.9134 224.5 23 286.8557 179.5 24 286.8557 89.5 25 169.9423 247 26 247.8845 247 27 208.9134 269.5 28 286.8557 224.5 29 325.8268 157 30 325.8268 202 31 184.7513 30.55 32 286.8557 72.4 33 349.989 35.95 34 349.989 -36.95 35 286.8557 -73.4 36 223.7224 -36.95 /ENSPROP 0 4 E_WEIGHT gr/mol Molecular weight of ensemble F /EWEIGHT 1 1 372.269200 /ENSPROP 0 4 E_INPUTDATE Time stamp for molecule /INDATE 1 1 Aug 28 12:06:56 1998 /ENSPROP 0 4 E_CHANGEDATE Time stamp for molecule /INDATE 1 1 Aug 28 12:15:45 1998 /ATOPROP 0 4 A_NOM_CHARGE [E] Nominal atom charge I /ACHARGE 36 36 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 /ATOPROP 0 4 A_COLOR X color data base format atom color description S /AXCOLOR 36 36 slategrey slategrey slategrey slategrey slategrey slategrey paleturquoise1 paleturquoise1 paleturquoise1 paleturquoise1 slategrey deepskyblue slategrey slategrey deepskyblue slategrey slategrey slategrey slategrey slategrey slategrey slategrey slategrey red maroon1 maroon1 maroon1 maroon1 maroon1 maroon1 paleturquoise1 paleturquoise1 paleturquoise1 paleturquoise1 paleturquoise1 paleturquoise1 /ENDBLOCK 0 0