REMARK Name = BDB024626 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.686 -0.090 -0.335 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.580 -0.925 -0.095 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.802 -2.379 0.042 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.132 -2.750 1.493 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.643 -3.190 -0.530 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.350 -2.836 0.167 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.151 -1.348 0.225 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.846 -0.843 0.435 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.323 -1.542 0.598 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.275 -0.644 0.744 0.00 0.00 +0.112 A ATOM 11 N LIG 1 -0.753 0.636 0.695 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.611 0.522 0.503 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.649 1.444 0.389 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.944 0.940 0.193 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.230 -0.433 0.101 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.664 1.113 -0.566 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.513 1.881 0.793 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -1.445 2.723 -0.489 0.00 0.00 +0.027 C ATOM 19 C LIG 1 -2.402 3.924 -0.445 0.00 0.00 +0.033 C ATOM 20 C LIG 1 -2.666 4.454 0.973 0.00 0.00 +0.118 C ATOM 21 C LIG 1 -1.464 4.197 1.884 0.00 0.00 +0.033 C ATOM 22 C LIG 1 -1.162 2.702 2.047 0.00 0.00 +0.027 C BRANCH 20 23 ATOM 23 O LIG 1 -3.784 3.769 1.550 0.00 0.00 -0.380 OA ATOM 24 C LIG 1 -5.035 4.367 1.234 0.00 0.00 +0.194 C ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 1 26 ATOM 25 C LIG 1 8.032 0.020 -0.538 0.00 0.00 +0.282 C ATOM 26 O LIG 1 6.871 -0.778 -0.300 0.00 0.00 -0.453 OA ENDBRANCH 1 26 BRANCH 10 27 ATOM 27 C LIG 1 -2.725 -0.989 0.925 0.00 0.00 +0.093 C BRANCH 27 28 ATOM 28 C LIG 1 -3.510 -0.925 -0.400 0.00 0.00 +0.135 C BRANCH 28 29 ATOM 29 C LIG 1 -3.091 -2.015 -1.380 0.00 0.00 -0.033 A ATOM 30 C LIG 1 -3.389 -3.366 -1.139 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -3.018 -4.348 -2.059 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -2.340 -3.994 -3.223 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -2.026 -2.659 -3.468 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -2.397 -1.674 -2.552 0.00 0.00 +0.004 A ENDBRANCH 28 29 BRANCH 28 35 ATOM 35 C LIG 1 -5.012 -0.925 -0.119 0.00 0.00 +0.313 C ATOM 36 O LIG 1 -5.511 -0.660 0.966 0.00 0.00 -0.250 OA BRANCH 35 37 ATOM 37 O LIG 1 -5.791 -1.166 -1.202 0.00 0.00 -0.480 OA ATOM 38 H LIG 1 -5.291 -1.399 -2.010 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 28 35 ENDBRANCH 27 28 ENDBRANCH 10 27 TORSDOF 8