@MOLECULE d-phe-d-phe 43 44 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.4823 -1.0335 1.4483 O.2 1 PHE1111111111 -0.5284 2 O 1.0001 2.5089 -1.2515 O.3 2 PHE2222222222 -0.5701 3 OXT 0.8549 3.2548 0.8473 O.2 2 PHE2222222222 -0.4822 4 N -0.0217 0.1554 -0.4250 N.am 2 PHE2222222222 -0.5942 5 N -0.4310 -3.3228 -0.2730 N.3 1 PHE1111111111 -0.6371 6 CA -0.5682 1.3884 0.1254 C.3 2 PHE2222222222 0.0437 7 CA 0.5672 -2.2445 -0.3558 C.3 1 PHE1111111111 -0.0086 8 CB -1.8332 1.8471 -0.6361 C.3 2 PHE2222222222 -0.3127 9 CB 1.9000 -2.5446 0.3745 C.3 1 PHE1111111111 -0.3385 10 C -0.0444 -1.0065 0.3176 C.2 1 PHE1111111111 0.5783 11 CG -2.9469 0.8792 -0.3754 C.ar 2 PHE2222222222 0.0124 12 CG 2.8286 -1.3788 0.2317 C.ar 1 PHE1111111111 0.0012 13 C 0.4898 2.4821 0.0067 C.2 2 PHE2222222222 0.6029 14 CD1 -3.1412 -0.2099 -1.2269 C.ar 2 PHE2222222222 -0.1590 15 CD2 -3.7690 1.0449 0.7410 C.ar 2 PHE2222222222 -0.1664 16 CD1 3.5557 -1.2002 -0.9467 C.ar 1 PHE1111111111 -0.1811 17 CD2 2.9402 -0.4467 1.2659 C.ar 1 PHE1111111111 -0.1637 18 CE1 -4.1447 -1.1369 -0.9550 C.ar 2 PHE2222222222 -0.1347 19 CE2 -4.7754 0.1190 1.0062 C.ar 2 PHE2222222222 -0.1359 20 CE1 4.3822 -0.0884 -1.0919 C.ar 1 PHE1111111111 -0.1372 21 CE2 3.7678 0.6632 1.1172 C.ar 1 PHE1111111111 -0.1296 22 CZ -4.9631 -0.9737 0.1612 C.ar 2 PHE2222222222 -0.1589 23 CZ 4.4878 0.8451 -0.0624 C.ar 1 PHE1111111111 -0.1617 24 HA -0.8156 1.2399 1.2223 H 2 PHE2222222222 0.2115 25 HA 0.7699 -2.0697 -1.4451 H 1 PHE1111111111 0.1584 26 HB1 -1.6192 1.9302 -1.7220 H 2 PHE2222222222 0.1665 27 HB2 -2.1154 2.8711 -0.3142 H 2 PHE2222222222 0.1639 28 HB1 1.6989 -2.7670 1.4443 H 1 PHE1111111111 0.1723 29 HB2 2.3564 -3.4655 -0.0379 H 1 PHE1111111111 0.1571 30 H 0.3240 0.1932 -1.3723 H 2 PHE2222222222 0.3281 31 H1 -0.0190 -4.2319 -0.4035 H 1 PHE1111111111 0.2562 32 H2 -0.9320 -3.3047 0.6071 H 1 PHE1111111111 0.2724 33 HD1 -2.4989 -0.3484 -2.0936 H 2 PHE2222222222 0.1512 34 HD2 -3.6184 1.8880 1.4115 H 2 PHE2222222222 0.1525 35 HD1 3.4789 -1.9274 -1.7511 H 1 PHE1111111111 0.1492 36 HD2 2.3688 -0.5800 2.1852 H 1 PHE1111111111 0.1663 37 HE1 -4.2808 -1.9953 -1.6100 H 2 PHE2222222222 0.1495 38 HE2 -5.4115 0.2452 1.8799 H 2 PHE2222222222 0.1476 39 HE1 4.9476 0.0499 -2.0111 H 1 PHE1111111111 0.1464 40 HE2 3.8471 1.3921 1.9231 H 1 PHE1111111111 0.1563 41 HZ -5.7427 -1.7007 0.3756 H 2 PHE2222222222 0.1486 42 HZ 5.1336 1.7124 -0.1771 H 1 PHE1111111111 0.1485 43 H 1.7257 3.1683 -1.3746 H 2 PHE2222222222 0.3589 @BOND 1 1 10 2 2 2 13 1 3 2 43 1 4 3 13 2 5 4 6 1 6 4 10 am 7 4 30 1 8 5 7 1 9 5 31 1 10 5 32 1 11 6 8 1 12 6 13 1 13 6 24 1 14 7 9 1 15 7 10 1 16 7 25 1 17 8 11 1 18 8 26 1 19 8 27 1 20 9 12 1 21 9 28 1 22 9 29 1 23 11 14 ar 24 11 15 ar 25 12 16 ar 26 12 17 ar 27 14 18 ar 28 14 33 1 29 15 19 ar 30 15 34 1 31 16 20 ar 32 16 35 1 33 17 21 ar 34 17 36 1 35 18 22 ar 36 18 37 1 37 19 22 ar 38 19 38 1 39 20 23 ar 40 20 39 1 41 21 23 ar 42 21 40 1 43 22 41 1 44 23 42 1