REMARK Name = BDB035827 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.136 -0.310 -0.747 0.00 0.00 -0.263 N ATOM 2 C LIG 1 1.007 -0.520 -1.525 0.00 0.00 +0.251 C ATOM 3 O LIG 1 1.185 -0.444 -2.727 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.088 -0.897 -0.605 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.405 -1.199 -0.896 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.255 -1.540 0.167 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.748 -1.549 1.488 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.402 -1.235 1.768 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.584 -0.911 0.690 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.137 -0.538 0.667 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.800 0.619 -0.721 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -2.493 0.243 -0.321 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.421 0.079 -1.217 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.674 0.311 -2.570 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -2.943 0.691 -3.007 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -3.987 0.841 -2.096 0.00 0.00 +0.005 A BRANCH 11 19 ATOM 17 C LIG 1 -6.294 2.152 1.391 0.00 0.00 +0.120 C ATOM 18 C LIG 1 -4.772 1.900 1.423 0.00 0.00 +0.051 C ATOM 19 C LIG 1 -4.974 0.761 0.362 0.00 0.00 +0.060 C ATOM 20 C LIG 1 -6.299 1.503 -0.013 0.00 0.00 +0.051 C BRANCH 19 21 ATOM 21 C LIG 1 -5.266 -0.658 1.021 0.00 0.00 +0.144 A ATOM 22 N LIG 1 -5.629 -1.816 0.388 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -5.837 -2.034 -1.017 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -5.750 -2.756 1.365 0.00 0.00 +0.224 A ATOM 25 N LIG 1 -5.482 -2.215 2.530 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -5.173 -0.893 2.313 0.00 0.00 -0.134 NA ENDBRANCH 19 21 BRANCH 17 28 ATOM 27 C LIG 1 -8.090 3.779 1.472 0.00 0.00 +0.194 C ATOM 28 O LIG 1 -6.690 3.539 1.446 0.00 0.00 -0.380 OA ENDBRANCH 17 28 ENDBRANCH 11 19 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 1.862 -1.253 3.173 0.00 0.00 +0.418 C ATOM 30 F LIG 1 0.898 -2.199 3.339 0.00 0.00 -0.166 F ATOM 31 F LIG 1 1.288 -0.069 3.520 0.00 0.00 -0.166 F ATOM 32 F LIG 1 2.807 -1.505 4.119 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 5.708 -1.859 -0.101 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 6.463 -0.629 -0.332 0.00 0.00 -0.309 NA ATOM 35 H LIG 1 6.369 -0.027 0.486 0.00 0.00 +0.122 HD BRANCH 34 36 ATOM 36 C LIG 1 7.882 -0.920 -0.575 0.00 0.00 +0.121 C BRANCH 36 37 ATOM 37 C LIG 1 8.742 0.314 -0.932 0.00 0.00 +0.118 C ATOM 38 F LIG 1 10.025 -0.132 -1.113 0.00 0.00 -0.241 F ATOM 39 C LIG 1 8.301 0.963 -2.241 0.00 0.00 +0.048 C ATOM 40 C LIG 1 8.784 1.341 0.197 0.00 0.00 +0.048 C ENDBRANCH 36 37 ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 9