REMARK Name = BDB035434 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.004 -1.137 -0.777 0.00 0.00 -0.032 A ATOM 2 C LIG 1 3.650 -2.499 -0.933 0.00 0.00 +0.017 A ATOM 3 C LIG 1 2.304 -2.917 -0.948 0.00 0.00 +0.061 A ATOM 4 C LIG 1 1.328 -1.934 -0.808 0.00 0.00 -0.006 A ATOM 5 C LIG 1 -0.162 -2.062 -0.802 0.00 0.00 +0.151 C ATOM 6 N LIG 1 -0.607 -0.692 -0.621 0.00 0.00 -0.248 N ATOM 7 C LIG 1 0.452 0.203 -0.552 0.00 0.00 +0.253 C ATOM 8 O LIG 1 0.467 1.413 -0.444 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 1.681 -0.596 -0.659 0.00 0.00 +0.043 A ATOM 10 C LIG 1 2.995 -0.171 -0.641 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -1.984 -0.407 -0.575 0.00 0.00 +0.130 A ATOM 12 N LIG 1 -2.820 -1.458 -0.737 0.00 0.00 -0.217 NA ATOM 13 C LIG 1 -4.144 -1.243 -0.723 0.00 0.00 +0.121 A ATOM 14 C LIG 1 -4.683 0.025 -0.546 0.00 0.00 +0.048 A ATOM 15 C LIG 1 -3.854 1.140 -0.343 0.00 0.00 -0.027 A ATOM 16 C LIG 1 -2.470 0.880 -0.368 0.00 0.00 +0.048 A BRANCH 15 17 ATOM 17 C LIG 1 -4.420 2.618 -0.092 0.00 0.00 +0.056 C ATOM 18 C LIG 1 -3.934 3.714 -1.111 0.00 0.00 +0.022 C ATOM 19 C LIG 1 -5.336 4.359 -1.025 0.00 0.00 -0.012 C ATOM 20 C LIG 1 -5.896 4.924 -2.314 0.00 0.00 +0.007 C ATOM 21 C LIG 1 -5.867 2.973 -0.586 0.00 0.00 +0.022 C BRANCH 17 22 ATOM 22 C LIG 1 -4.195 3.037 1.429 0.00 0.00 +0.144 A ATOM 23 N LIG 1 -4.652 2.401 2.552 0.00 0.00 -0.320 N ATOM 24 C LIG 1 -5.432 1.200 2.638 0.00 0.00 +0.151 C ATOM 25 C LIG 1 -4.213 3.138 3.609 0.00 0.00 +0.224 A ATOM 26 N LIG 1 -3.533 4.171 3.171 0.00 0.00 -0.138 NA ATOM 27 N LIG 1 -3.516 4.105 1.798 0.00 0.00 -0.134 NA ENDBRANCH 17 22 ENDBRANCH 15 17 BRANCH 13 28 ATOM 28 N LIG 1 -4.928 -2.372 -0.932 0.00 0.00 -0.326 N ATOM 29 H LIG 1 -4.261 -3.141 -0.990 0.00 0.00 +0.148 HD BRANCH 28 30 ATOM 30 C LIG 1 -6.020 -2.615 0.010 0.00 0.00 +0.072 C ATOM 31 C LIG 1 -6.112 -4.103 0.354 0.00 0.00 +0.022 C ATOM 32 C LIG 1 -6.831 -4.741 -0.831 0.00 0.00 +0.002 C ATOM 33 C LIG 1 -7.639 -3.623 -1.487 0.00 0.00 +0.002 C ATOM 34 C LIG 1 -7.367 -2.364 -0.667 0.00 0.00 +0.022 C ENDBRANCH 28 30 ENDBRANCH 13 28 ENDBRANCH 6 11 BRANCH 3 35 ATOM 35 C LIG 1 1.925 -4.363 -1.131 0.00 0.00 +0.418 C ATOM 36 F LIG 1 1.122 -4.817 -0.131 0.00 0.00 -0.166 F ATOM 37 F LIG 1 1.235 -4.572 -2.286 0.00 0.00 -0.166 F ATOM 38 F LIG 1 2.990 -5.208 -1.170 0.00 0.00 -0.166 F ENDBRANCH 3 35 BRANCH 1 39 ATOM 39 C LIG 1 5.464 -0.715 -0.794 0.00 0.00 +0.120 C BRANCH 39 41 ATOM 40 C LIG 1 7.254 0.626 0.309 0.00 0.00 +0.074 C ATOM 41 N LIG 1 5.878 0.031 0.404 0.00 0.00 -0.293 NA ATOM 42 C LIG 1 5.774 -0.826 1.610 0.00 0.00 +0.100 C ATOM 43 C LIG 1 6.180 -0.108 2.911 0.00 0.00 +0.099 C ATOM 44 N LIG 1 7.519 0.497 2.878 0.00 0.00 -0.303 NA ATOM 45 C LIG 1 8.578 -0.503 2.965 0.00 0.00 +0.105 C ATOM 46 C LIG 1 7.634 1.325 1.662 0.00 0.00 +0.103 C BRANCH 40 48 ATOM 47 C LIG 1 8.205 2.882 -0.674 0.00 0.00 +0.009 C ATOM 48 C LIG 1 7.414 1.590 -0.926 0.00 0.00 +0.001 C ATOM 49 C LIG 1 8.092 0.864 -2.103 0.00 0.00 +0.009 C ENDBRANCH 40 48 ENDBRANCH 39 41 ENDBRANCH 1 39 TORSDOF 9