REMARK Name = BDB035557 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.246 -0.154 -0.533 0.00 0.00 -0.028 A ATOM 2 C LIG 1 -1.834 -0.146 -0.610 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -1.023 -1.181 -0.121 0.00 0.00 +0.041 A ATOM 4 C LIG 1 -1.653 -2.313 0.400 0.00 0.00 +0.069 A ATOM 5 C LIG 1 -3.044 -2.392 0.478 0.00 0.00 +0.123 A ATOM 6 C LIG 1 -3.814 -1.321 0.027 0.00 0.00 +0.050 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 0.394 -1.088 -0.158 0.00 0.00 -0.263 N ATOM 8 C LIG 1 1.138 0.077 -0.370 0.00 0.00 +0.251 C ATOM 9 O LIG 1 0.782 1.234 -0.502 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 2.553 -0.316 -0.367 0.00 0.00 +0.043 A ATOM 11 C LIG 1 3.670 0.473 -0.568 0.00 0.00 +0.018 A ATOM 12 C LIG 1 4.928 -0.144 -0.521 0.00 0.00 -0.032 A ATOM 13 C LIG 1 5.016 -1.531 -0.253 0.00 0.00 +0.017 A ATOM 14 C LIG 1 3.868 -2.320 -0.044 0.00 0.00 +0.061 A ATOM 15 C LIG 1 2.633 -1.680 -0.111 0.00 0.00 -0.006 A ATOM 16 C LIG 1 1.258 -2.236 0.078 0.00 0.00 +0.150 C BRANCH 14 17 ATOM 17 C LIG 1 3.960 -3.795 0.239 0.00 0.00 +0.418 C ATOM 18 F LIG 1 3.361 -4.543 -0.727 0.00 0.00 -0.166 F ATOM 19 F LIG 1 3.346 -4.135 1.406 0.00 0.00 -0.166 F ATOM 20 F LIG 1 5.237 -4.255 0.338 0.00 0.00 -0.166 F ENDBRANCH 14 17 BRANCH 12 21 ATOM 21 C LIG 1 6.180 0.683 -0.717 0.00 0.00 +0.116 C BRANCH 21 22 ATOM 22 N LIG 1 6.508 1.393 0.518 0.00 0.00 -0.307 NA ATOM 23 H LIG 1 6.709 0.711 1.247 0.00 0.00 +0.123 HD BRANCH 22 24 ATOM 24 C LIG 1 7.567 2.403 0.333 0.00 0.00 +0.017 C ATOM 25 C LIG 1 7.671 3.192 1.672 0.00 0.00 +0.022 C ATOM 26 C LIG 1 6.617 4.180 1.133 0.00 0.00 +0.004 C ATOM 27 C LIG 1 6.963 3.692 -0.289 0.00 0.00 +0.022 C ATOM 28 C LIG 1 8.881 1.871 -0.201 0.00 0.00 +0.027 C ENDBRANCH 22 24 ENDBRANCH 21 22 ENDBRANCH 12 21 ENDBRANCH 3 7 BRANCH 1 31 ATOM 29 C LIG 1 -6.353 0.789 -1.348 0.00 0.00 +0.120 C ATOM 30 C LIG 1 -5.129 0.681 -2.270 0.00 0.00 +0.051 C ATOM 31 C LIG 1 -4.185 1.065 -1.081 0.00 0.00 +0.060 C ATOM 32 C LIG 1 -5.469 1.419 -0.259 0.00 0.00 +0.051 C BRANCH 31 33 ATOM 33 C LIG 1 -3.358 2.395 -1.369 0.00 0.00 +0.144 A ATOM 34 N LIG 1 -2.618 3.132 -0.482 0.00 0.00 -0.320 N ATOM 35 C LIG 1 -2.388 2.888 0.915 0.00 0.00 +0.151 C ATOM 36 C LIG 1 -2.105 4.172 -1.195 0.00 0.00 +0.224 A ATOM 37 N LIG 1 -2.531 4.109 -2.434 0.00 0.00 -0.138 NA ATOM 38 N LIG 1 -3.317 2.987 -2.545 0.00 0.00 -0.134 NA ENDBRANCH 31 33 BRANCH 29 40 ATOM 39 C LIG 1 -8.204 -0.364 -0.278 0.00 0.00 +0.194 C ATOM 40 O LIG 1 -6.986 -0.465 -1.003 0.00 0.00 -0.380 OA ENDBRANCH 29 40 ENDBRANCH 1 31 BRANCH 5 41 ATOM 41 O LIG 1 -3.512 -3.560 1.013 0.00 0.00 -0.489 OA BRANCH 41 42 ATOM 42 C LIG 1 -4.925 -3.760 1.145 0.00 0.00 +0.167 C ATOM 43 C LIG 1 -5.113 -4.805 2.244 0.00 0.00 +0.051 C ATOM 44 C LIG 1 -5.514 -4.274 -0.166 0.00 0.00 +0.051 C ENDBRANCH 41 42 ENDBRANCH 5 41 TORSDOF 10