REMARK Name = BDB024003 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.264 -0.409 1.224 0.00 0.00 +0.047 A ATOM 2 C LIG 1 0.053 -1.655 0.691 0.00 0.00 +0.134 A ATOM 3 F LIG 1 1.323 -1.937 0.374 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.922 -2.623 0.482 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -2.249 -2.348 0.807 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.606 -1.101 1.339 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -1.601 -0.145 1.555 0.00 0.00 +0.018 A ENDROOT BRANCH 1 13 ATOM 8 O LIG 1 5.593 -0.343 1.772 0.00 0.00 -0.275 OA ATOM 9 C LIG 1 5.092 0.405 0.923 0.00 0.00 +0.219 C ATOM 10 N LIG 1 3.998 1.220 1.255 0.00 0.00 -0.300 N ATOM 11 C LIG 1 3.438 1.117 2.605 0.00 0.00 +0.115 C ATOM 12 C LIG 1 2.240 0.182 2.608 0.00 0.00 +0.093 C ATOM 13 P LIG 1 0.975 0.812 1.485 0.00 0.00 +0.122 P ATOM 14 O LIG 1 0.452 2.138 1.989 0.00 0.00 -0.316 OA ATOM 15 C LIG 1 1.920 1.086 -0.032 0.00 0.00 +0.093 C ATOM 16 C LIG 1 3.161 1.911 0.272 0.00 0.00 +0.115 C BRANCH 9 17 ATOM 17 C LIG 1 5.641 0.490 -0.527 0.00 0.00 +0.075 C ATOM 18 C LIG 1 4.930 -0.357 -1.621 0.00 0.00 +0.013 C ATOM 19 C LIG 1 6.313 -0.585 -2.258 0.00 0.00 +0.001 C ATOM 20 C LIG 1 6.915 -0.344 -0.862 0.00 0.00 +0.013 C ENDBRANCH 9 17 ENDBRANCH 1 13 BRANCH 6 21 ATOM 21 C LIG 1 -4.043 -0.802 1.704 0.00 0.00 +0.093 C BRANCH 21 22 ATOM 22 C LIG 1 -5.000 -0.958 0.529 0.00 0.00 +0.074 A ATOM 23 C LIG 1 -5.130 0.127 -0.478 0.00 0.00 +0.011 A ATOM 24 C LIG 1 -6.004 -0.094 -1.540 0.00 0.00 +0.050 A ATOM 25 C LIG 1 -6.182 0.876 -2.535 0.00 0.00 +0.014 A ATOM 26 C LIG 1 -5.479 2.078 -2.464 0.00 0.00 +0.001 A ATOM 27 C LIG 1 -4.605 2.307 -1.403 0.00 0.00 +0.001 A ATOM 28 C LIG 1 -6.748 -1.362 -1.608 0.00 0.00 +0.272 A ATOM 29 O LIG 1 -7.526 -1.600 -2.525 0.00 0.00 -0.266 OA ATOM 30 N LIG 1 -6.520 -2.251 -0.588 0.00 0.00 -0.242 N ATOM 31 H LIG 1 -7.027 -3.131 -0.616 0.00 0.00 +0.192 HD ATOM 32 C LIG 1 -4.429 1.337 -0.410 0.00 0.00 +0.010 A ATOM 33 N LIG 1 -5.668 -2.073 0.457 0.00 0.00 -0.175 NA ENDBRANCH 21 22 ENDBRANCH 6 21 TORSDOF 4