REMARK Name = BDB063181 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.968 0.912 -0.107 0.00 0.00 +0.121 A ATOM 2 C LIG 1 -1.932 0.458 -0.999 0.00 0.00 +0.047 A ATOM 3 C LIG 1 -3.253 0.274 -0.569 0.00 0.00 +0.027 A ATOM 4 C LIG 1 -3.654 0.563 0.744 0.00 0.00 +0.030 A ATOM 5 C LIG 1 -2.658 1.041 1.613 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -1.335 1.228 1.194 0.00 0.00 +0.047 A ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 -4.951 0.374 1.194 0.00 0.00 -0.326 N ATOM 8 C LIG 1 -6.014 -0.292 0.410 0.00 0.00 +0.085 C ATOM 9 C LIG 1 -7.295 0.073 1.185 0.00 0.00 +0.036 C ATOM 10 C LIG 1 -6.980 1.467 1.709 0.00 0.00 +0.112 C ATOM 11 C LIG 1 -5.526 1.348 2.138 0.00 0.00 +0.117 C BRANCH 10 12 ATOM 12 C LIG 1 -7.857 1.909 2.845 0.00 0.00 +0.394 C ATOM 13 F LIG 1 -9.147 1.990 2.454 0.00 0.00 -0.170 F ATOM 14 F LIG 1 -7.489 3.131 3.288 0.00 0.00 -0.170 F ATOM 15 F LIG 1 -7.798 1.058 3.892 0.00 0.00 -0.170 F ENDBRANCH 10 12 BRANCH 8 16 ATOM 16 C LIG 1 -5.803 -1.805 0.349 0.00 0.00 +0.142 C BRANCH 16 17 ATOM 17 C LIG 1 -6.808 -2.451 -0.559 0.00 0.00 +0.306 C ATOM 18 O LIG 1 -7.582 -1.894 -1.318 0.00 0.00 -0.251 OA BRANCH 17 19 ATOM 19 O LIG 1 -6.774 -3.795 -0.478 0.00 0.00 -0.481 OA ATOM 20 H LIG 1 -7.454 -4.100 -1.117 0.00 0.00 +0.295 HD ENDBRANCH 17 19 ENDBRANCH 16 17 ENDBRANCH 8 16 ENDBRANCH 4 7 BRANCH 1 21 ATOM 21 O LIG 1 0.328 1.150 -0.465 0.00 0.00 -0.488 OA BRANCH 21 26 ATOM 22 N LIG 1 3.901 -0.549 -1.140 0.00 0.00 -0.327 N ATOM 23 C LIG 1 3.112 -0.408 -2.369 0.00 0.00 +0.112 C ATOM 24 C LIG 1 1.940 0.550 -2.138 0.00 0.00 +0.044 C ATOM 25 C LIG 1 1.164 0.793 -3.434 0.00 0.00 +0.013 C ATOM 26 C LIG 1 1.014 0.013 -1.031 0.00 0.00 +0.179 C ATOM 27 C LIG 1 1.786 -0.707 0.083 0.00 0.00 +0.064 C ATOM 28 C LIG 1 3.247 -0.275 0.141 0.00 0.00 +0.109 C BRANCH 22 31 ATOM 29 C LIG 1 7.519 -0.810 -0.241 0.00 0.00 +0.122 A ATOM 30 C LIG 1 6.153 -0.498 -0.191 0.00 0.00 +0.071 A ATOM 31 C LIG 1 5.257 -0.870 -1.216 0.00 0.00 +0.069 A ATOM 32 C LIG 1 5.817 -1.572 -2.304 0.00 0.00 +0.145 A ATOM 33 F LIG 1 5.044 -1.997 -3.317 0.00 0.00 -0.204 F ATOM 34 C LIG 1 7.174 -1.884 -2.373 0.00 0.00 +0.044 A ATOM 35 C LIG 1 8.023 -1.500 -1.342 0.00 0.00 +0.048 A BRANCH 29 36 ATOM 36 O LIG 1 8.460 -0.483 0.695 0.00 0.00 -0.492 OA BRANCH 36 38 ATOM 37 C LIG 1 7.996 1.587 1.868 0.00 0.00 +0.048 C ATOM 38 C LIG 1 8.036 0.070 1.939 0.00 0.00 +0.225 C ENDBRANCH 36 38 ENDBRANCH 29 36 ENDBRANCH 22 31 ENDBRANCH 21 26 ENDBRANCH 1 21 TORSDOF 10