REMARK Name = BDB034093 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.752 0.236 0.429 0.00 0.00 +0.035 A ATOM 2 C LIG 1 -0.773 0.620 1.338 0.00 0.00 +0.132 A ATOM 3 F LIG 1 -1.129 1.159 2.514 0.00 0.00 -0.205 F ATOM 4 C LIG 1 0.589 0.473 1.058 0.00 0.00 +0.062 A ATOM 5 C LIG 1 1.040 -0.070 -0.153 0.00 0.00 +0.035 A ATOM 6 C LIG 1 0.047 -0.447 -1.067 0.00 0.00 +0.062 A ATOM 7 C LIG 1 -1.312 -0.297 -0.779 0.00 0.00 +0.132 A ATOM 8 F LIG 1 -2.208 -0.673 -1.705 0.00 0.00 -0.205 F ENDROOT BRANCH 1 15 ATOM 9 O LIG 1 -7.269 0.224 -0.102 0.00 0.00 -0.275 OA ATOM 10 C LIG 1 -6.058 0.293 0.090 0.00 0.00 +0.219 C ATOM 11 N LIG 1 -5.305 -0.837 0.285 0.00 0.00 -0.256 N ATOM 12 H LIG 1 -5.808 -1.713 0.257 0.00 0.00 +0.157 HD ATOM 13 C LIG 1 -3.985 -0.919 0.663 0.00 0.00 +0.227 C ATOM 14 O LIG 1 -3.504 -2.006 0.979 0.00 0.00 -0.275 OA ATOM 15 C LIG 1 -3.220 0.400 0.749 0.00 0.00 +0.111 C ATOM 16 C LIG 1 -3.865 1.462 -0.148 0.00 0.00 +0.027 C ATOM 17 C LIG 1 -5.335 1.612 0.208 0.00 0.00 +0.097 C ENDBRANCH 1 15 BRANCH 5 18 ATOM 18 N LIG 1 2.379 -0.211 -0.432 0.00 0.00 -0.329 N ATOM 19 C LIG 1 3.448 -0.028 0.555 0.00 0.00 +0.119 C ATOM 20 C LIG 1 4.675 -0.674 -0.086 0.00 0.00 +0.116 C ATOM 21 C LIG 1 4.410 -0.496 -1.577 0.00 0.00 +0.035 C ATOM 22 C LIG 1 2.908 -0.725 -1.693 0.00 0.00 +0.106 C BRANCH 20 23 ATOM 23 C LIG 1 5.950 -0.022 0.359 0.00 0.00 +0.309 C ATOM 24 O LIG 1 6.895 0.288 -0.347 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 6.019 0.145 1.694 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 6.910 0.528 1.842 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 20 23 ENDBRANCH 5 18 TORSDOF 4