REMARK Name = BDB008360 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.216 0.596 0.772 0.00 0.00 +0.072 A ATOM 2 C LIG 1 0.553 1.788 1.401 0.00 0.00 +0.135 A ATOM 3 F LIG 1 -0.202 2.277 2.395 0.00 0.00 -0.205 F ATOM 4 C LIG 1 1.668 2.504 0.984 0.00 0.00 +0.039 A ATOM 5 C LIG 1 2.463 2.008 -0.053 0.00 0.00 +0.007 A ATOM 6 C LIG 1 2.160 0.780 -0.668 0.00 0.00 -0.041 A ATOM 7 C LIG 1 1.018 0.080 -0.253 0.00 0.00 +0.020 A ENDROOT BRANCH 1 16 ATOM 8 C LIG 1 -4.674 -0.634 0.516 0.00 0.00 +0.239 C ATOM 9 N LIG 1 -4.561 -0.320 -0.893 0.00 0.00 -0.278 N ATOM 10 C LIG 1 -3.499 0.364 -1.410 0.00 0.00 +0.156 A ATOM 11 N LIG 1 -3.636 0.434 -2.715 0.00 0.00 -0.132 NA ATOM 12 N LIG 1 -4.824 -0.183 -3.046 0.00 0.00 -0.125 NA ATOM 13 C LIG 1 -2.413 0.906 -0.542 0.00 0.00 +0.141 C ATOM 14 C LIG 1 -2.749 2.327 -0.085 0.00 0.00 +0.036 C ATOM 15 N LIG 1 -2.181 -0.001 0.609 0.00 0.00 -0.283 N ATOM 16 C LIG 1 -0.945 -0.172 1.236 0.00 0.00 +0.250 C ATOM 17 O LIG 1 -0.755 -0.988 2.134 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 -5.390 -0.622 -1.934 0.00 0.00 +0.240 A ATOM 19 C LIG 1 -3.266 -0.881 1.092 0.00 0.00 +0.163 C BRANCH 18 20 ATOM 20 C LIG 1 -6.676 -1.336 -1.767 0.00 0.00 +0.452 C ATOM 21 F LIG 1 -7.485 -0.717 -0.866 0.00 0.00 -0.163 F ATOM 22 F LIG 1 -6.474 -2.593 -1.283 0.00 0.00 -0.163 F ATOM 23 F LIG 1 -7.384 -1.465 -2.914 0.00 0.00 -0.163 F ENDBRANCH 18 20 BRANCH 8 25 ATOM 24 C LIG 1 -6.013 0.131 2.324 0.00 0.00 +0.196 C ATOM 25 O LIG 1 -5.328 0.477 1.127 0.00 0.00 -0.358 OA ENDBRANCH 8 25 ENDBRANCH 1 16 BRANCH 6 26 ATOM 26 C LIG 1 3.021 0.237 -1.788 0.00 0.00 +0.093 C BRANCH 26 27 ATOM 27 C LIG 1 4.511 0.248 -1.471 0.00 0.00 +0.074 A ATOM 28 C LIG 1 5.090 -0.783 -0.570 0.00 0.00 +0.011 A ATOM 29 C LIG 1 6.458 -0.705 -0.313 0.00 0.00 +0.050 A ATOM 30 C LIG 1 7.081 -1.636 0.527 0.00 0.00 +0.014 A ATOM 31 C LIG 1 6.328 -2.650 1.116 0.00 0.00 +0.001 A ATOM 32 C LIG 1 4.960 -2.734 0.864 0.00 0.00 +0.001 A ATOM 33 C LIG 1 7.247 0.369 -0.937 0.00 0.00 +0.272 A ATOM 34 O LIG 1 8.452 0.475 -0.741 0.00 0.00 -0.266 OA ATOM 35 N LIG 1 6.554 1.237 -1.744 0.00 0.00 -0.242 N ATOM 36 H LIG 1 7.083 1.982 -2.186 0.00 0.00 +0.192 HD ATOM 37 C LIG 1 4.339 -1.805 0.022 0.00 0.00 +0.010 A ATOM 38 N LIG 1 5.222 1.193 -2.013 0.00 0.00 -0.175 NA ENDBRANCH 26 27 ENDBRANCH 6 26 TORSDOF 5