REMARK Name = BDB042175 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.425 -1.976 0.826 0.00 0.00 +0.122 C ENDROOT BRANCH 1 8 ATOM 2 N LIG 1 5.962 0.526 0.679 0.00 0.00 -0.282 N ATOM 3 C LIG 1 5.516 0.367 1.984 0.00 0.00 +0.248 C ATOM 4 O LIG 1 6.098 0.648 3.013 0.00 0.00 -0.270 OA ATOM 5 C LIG 1 4.176 -0.222 1.906 0.00 0.00 +0.044 A ATOM 6 C LIG 1 3.291 -0.525 2.923 0.00 0.00 +0.014 A ATOM 7 C LIG 1 2.066 -1.091 2.560 0.00 0.00 +0.008 A ATOM 8 C LIG 1 1.748 -1.339 1.202 0.00 0.00 +0.002 A ATOM 9 C LIG 1 2.686 -1.022 0.210 0.00 0.00 +0.133 A ATOM 10 F LIG 1 2.420 -1.256 -1.083 0.00 0.00 -0.205 F ATOM 11 C LIG 1 3.893 -0.462 0.566 0.00 0.00 +0.017 A ATOM 12 C LIG 1 5.038 -0.056 -0.290 0.00 0.00 +0.147 C BRANCH 2 19 ATOM 13 O LIG 1 10.767 0.856 -1.932 0.00 0.00 -0.275 OA ATOM 14 C LIG 1 9.797 0.897 -1.181 0.00 0.00 +0.219 C ATOM 15 N LIG 1 9.438 -0.191 -0.428 0.00 0.00 -0.255 N ATOM 16 H LIG 1 9.977 -1.027 -0.612 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 8.192 -0.418 0.113 0.00 0.00 +0.240 C ATOM 18 O LIG 1 7.816 -1.564 0.345 0.00 0.00 -0.273 OA ATOM 19 C LIG 1 7.352 0.844 0.374 0.00 0.00 +0.163 C ATOM 20 C LIG 1 7.487 1.785 -0.819 0.00 0.00 +0.041 C ATOM 21 C LIG 1 8.953 2.140 -1.019 0.00 0.00 +0.098 C ENDBRANCH 2 19 ENDBRANCH 1 8 BRANCH 1 22 ATOM 22 N LIG 1 -0.732 -1.277 1.394 0.00 0.00 -0.295 NA ATOM 23 C LIG 1 -0.966 0.073 0.827 0.00 0.00 +0.103 C ATOM 24 C LIG 1 -2.079 0.203 -0.262 0.00 0.00 +0.072 C ATOM 25 N LIG 1 -3.326 -0.369 0.303 0.00 0.00 -0.283 NA ATOM 26 C LIG 1 -2.997 -1.814 0.251 0.00 0.00 +0.072 C ATOM 27 C LIG 1 -2.385 -2.023 -1.137 0.00 0.00 +0.022 C ATOM 28 C LIG 1 -1.779 -0.666 -1.487 0.00 0.00 +0.022 C ATOM 29 C LIG 1 -1.965 -2.096 1.387 0.00 0.00 +0.103 C BRANCH 25 30 ATOM 30 C LIG 1 -4.561 0.005 -0.433 0.00 0.00 +0.118 C BRANCH 30 31 ATOM 31 C LIG 1 -4.798 1.521 -0.463 0.00 0.00 -0.026 A ATOM 32 C LIG 1 -5.207 2.143 -1.655 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -5.438 3.519 -1.699 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -5.270 4.293 -0.552 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -4.872 3.692 0.640 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -4.640 2.316 0.685 0.00 0.00 +0.005 A ENDBRANCH 30 31 BRANCH 30 37 ATOM 37 C LIG 1 -5.811 -0.701 0.113 0.00 0.00 -0.026 A ATOM 38 C LIG 1 -6.059 -0.800 1.493 0.00 0.00 +0.005 A ATOM 39 C LIG 1 -7.207 -1.436 1.968 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -8.127 -1.976 1.072 0.00 0.00 +0.000 A ATOM 41 C LIG 1 -7.902 -1.879 -0.299 0.00 0.00 +0.000 A ATOM 42 C LIG 1 -6.753 -1.244 -0.777 0.00 0.00 +0.005 A ENDBRANCH 30 37 ENDBRANCH 25 30 ENDBRANCH 1 22 TORSDOF 6