REMARK Name = BDB019010 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.419 2.966 -2.035 0.00 0.00 +0.126 A ATOM 2 N LIG 1 -2.244 2.302 -1.968 0.00 0.00 -0.237 NA ATOM 3 C LIG 1 -2.209 1.276 -1.078 0.00 0.00 +0.131 A ATOM 4 C LIG 1 -1.160 0.362 -0.728 0.00 0.00 +0.174 A ATOM 5 N LIG 1 -1.595 -0.496 0.207 0.00 0.00 -0.153 NA ATOM 6 N LIG 1 -2.854 -0.121 0.479 0.00 0.00 -0.257 N ATOM 7 C LIG 1 -3.295 0.935 -0.278 0.00 0.00 +0.089 A ATOM 8 C LIG 1 -4.506 1.630 -0.356 0.00 0.00 +0.032 A ATOM 9 C LIG 1 -4.550 2.678 -1.274 0.00 0.00 +0.035 A ENDROOT BRANCH 4 10 ATOM 10 N LIG 1 0.105 0.371 -1.279 0.00 0.00 -0.282 N ATOM 11 C LIG 1 1.299 -0.059 -0.623 0.00 0.00 +0.039 A ATOM 12 C LIG 1 2.495 -0.303 -1.326 0.00 0.00 -0.025 A ATOM 13 C LIG 1 3.647 -0.751 -0.651 0.00 0.00 +0.014 A ATOM 14 C LIG 1 3.658 -0.924 0.739 0.00 0.00 -0.006 A ATOM 15 C LIG 1 2.498 -0.643 1.470 0.00 0.00 +0.027 A ATOM 16 C LIG 1 2.580 -0.109 -2.816 0.00 0.00 +0.038 C ATOM 17 C LIG 1 1.491 0.832 -3.288 0.00 0.00 +0.024 C ATOM 18 C LIG 1 1.352 -0.197 0.778 0.00 0.00 +0.033 A ATOM 19 C LIG 1 0.158 0.339 -2.756 0.00 0.00 +0.113 C BRANCH 14 20 ATOM 20 C LIG 1 4.878 -1.382 1.371 0.00 0.00 +0.020 A ATOM 21 C LIG 1 5.483 -2.592 1.103 0.00 0.00 +0.116 A ATOM 22 N LIG 1 6.591 -2.644 1.898 0.00 0.00 -0.274 N ATOM 23 C LIG 1 7.553 -3.716 1.979 0.00 0.00 +0.172 C ATOM 24 N LIG 1 6.748 -1.553 2.670 0.00 0.00 -0.179 NA ATOM 25 C LIG 1 5.710 -0.780 2.340 0.00 0.00 +0.142 A ENDBRANCH 14 20 BRANCH 15 26 ATOM 26 C LIG 1 2.433 -0.796 2.968 0.00 0.00 +0.372 C ATOM 27 F LIG 1 3.096 0.200 3.621 0.00 0.00 -0.204 F ATOM 28 F LIG 1 1.160 -0.764 3.465 0.00 0.00 -0.204 F ENDBRANCH 15 26 ENDBRANCH 4 10 BRANCH 6 29 ATOM 29 C LIG 1 -3.610 -0.844 1.504 0.00 0.00 +0.112 C ATOM 30 C LIG 1 -4.086 -2.211 0.998 0.00 0.00 +0.055 C ATOM 31 C LIG 1 -3.022 -3.285 1.164 0.00 0.00 +0.162 C ATOM 32 O LIG 1 -2.587 -3.332 2.521 0.00 0.00 -0.380 OA ATOM 33 C LIG 1 -1.907 -2.133 2.893 0.00 0.00 +0.162 C ATOM 34 C LIG 1 -2.861 -0.947 2.841 0.00 0.00 +0.055 C ENDBRANCH 6 29 BRANCH 1 38 ATOM 35 C LIG 1 -4.035 6.438 -3.412 0.00 0.00 +0.128 C ATOM 36 N LIG 1 -4.069 5.255 -2.588 0.00 0.00 -0.313 N ATOM 37 H LIG 1 -4.187 5.382 -1.591 0.00 0.00 +0.149 HD ATOM 38 C LIG 1 -3.465 4.086 -3.029 0.00 0.00 +0.262 C ATOM 39 O LIG 1 -2.983 3.959 -4.149 0.00 0.00 -0.269 OA ENDBRANCH 1 38 TORSDOF 5