REMARK Name = BDB024659 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.393 0.120 -0.589 0.00 0.00 +0.407 C ATOM 2 N LIG 1 5.291 -0.648 -0.172 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.534 -1.992 0.392 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.788 -1.916 1.903 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.425 -2.973 0.025 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.088 -2.477 0.525 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.854 -1.045 0.136 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.530 -0.543 0.126 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.363 -1.207 0.426 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.608 -0.327 0.266 0.00 0.00 +0.112 A ATOM 11 N LIG 1 -0.103 0.903 -0.111 0.00 0.00 -0.324 N ATOM 12 C LIG 1 1.269 0.777 -0.208 0.00 0.00 +0.069 A ATOM 13 C LIG 1 2.294 1.660 -0.536 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.607 1.164 -0.516 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.922 -0.167 -0.194 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.360 1.205 -1.159 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -0.891 2.108 -0.368 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -0.807 2.570 -1.829 0.00 0.00 +0.027 C ATOM 19 C LIG 1 -1.780 3.719 -2.132 0.00 0.00 +0.033 C ATOM 20 C LIG 1 -2.079 4.616 -0.920 0.00 0.00 +0.118 C ATOM 21 C LIG 1 -0.897 4.635 0.051 0.00 0.00 +0.033 C ATOM 22 C LIG 1 -0.587 3.246 0.624 0.00 0.00 +0.027 C BRANCH 20 23 ATOM 23 O LIG 1 -3.209 4.103 -0.202 0.00 0.00 -0.380 OA ATOM 24 C LIG 1 -4.451 4.595 -0.694 0.00 0.00 +0.194 C ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 1 26 ATOM 25 C LIG 1 8.744 0.248 -0.701 0.00 0.00 +0.282 C ATOM 26 O LIG 1 7.586 -0.486 -0.298 0.00 0.00 -0.453 OA ENDBRANCH 1 26 BRANCH 10 27 ATOM 27 C LIG 1 -2.065 -0.621 0.482 0.00 0.00 +0.093 C BRANCH 27 28 ATOM 28 C LIG 1 -2.333 -2.115 0.751 0.00 0.00 +0.135 C BRANCH 28 29 ATOM 29 C LIG 1 -3.785 -2.454 0.409 0.00 0.00 -0.031 A ATOM 30 C LIG 1 -4.065 -3.360 -0.625 0.00 0.00 +0.043 A ATOM 31 C LIG 1 -5.384 -3.656 -0.962 0.00 0.00 +0.127 A ATOM 32 F LIG 1 -5.616 -4.520 -1.961 0.00 0.00 -0.205 F ATOM 33 C LIG 1 -6.457 -3.072 -0.288 0.00 0.00 -0.015 A ATOM 34 C LIG 1 -7.864 -3.404 -0.681 0.00 0.00 +0.047 C ATOM 35 C LIG 1 -6.185 -2.163 0.739 0.00 0.00 +0.006 A ATOM 36 C LIG 1 -4.864 -1.857 1.083 0.00 0.00 +0.005 A ENDBRANCH 28 29 BRANCH 28 37 ATOM 37 C LIG 1 -1.955 -2.490 2.187 0.00 0.00 +0.313 C ATOM 38 O LIG 1 -2.748 -2.709 3.093 0.00 0.00 -0.250 OA BRANCH 37 39 ATOM 39 O LIG 1 -0.619 -2.568 2.402 0.00 0.00 -0.480 OA ATOM 40 H LIG 1 -0.080 -2.255 1.632 0.00 0.00 +0.295 HD ENDBRANCH 37 39 ENDBRANCH 28 37 ENDBRANCH 27 28 ENDBRANCH 10 27 TORSDOF 8