REMARK Name = BDB054805 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.528 0.805 -0.053 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -0.168 2.151 -0.142 0.00 0.00 +0.135 A ATOM 3 F LIG 1 -0.985 3.120 0.299 0.00 0.00 -0.205 F ATOM 4 C LIG 1 1.053 2.533 -0.694 0.00 0.00 +0.039 A ATOM 5 C LIG 1 1.936 1.564 -1.172 0.00 0.00 +0.007 A ATOM 6 C LIG 1 1.599 0.207 -1.103 0.00 0.00 -0.041 A ATOM 7 C LIG 1 0.368 -0.163 -0.536 0.00 0.00 +0.020 A ENDROOT BRANCH 1 9 ATOM 8 O LIG 1 -2.128 -0.842 0.478 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -1.823 0.346 0.525 0.00 0.00 +0.247 C ATOM 10 N LIG 1 -2.640 1.298 1.093 0.00 0.00 -0.310 N ATOM 11 H LIG 1 -2.372 2.275 1.063 0.00 0.00 +0.149 HD BRANCH 10 12 ATOM 12 C LIG 1 -3.933 0.959 1.662 0.00 0.00 +0.120 C BRANCH 12 13 ATOM 13 C LIG 1 -5.006 0.726 0.580 0.00 0.00 +0.103 C BRANCH 13 14 ATOM 14 N LIG 1 -6.360 0.553 1.144 0.00 0.00 -0.301 NA ATOM 15 C LIG 1 -6.537 -0.767 1.773 0.00 0.00 +0.084 C ATOM 16 C LIG 1 -6.900 -1.730 0.650 0.00 0.00 +0.017 C ATOM 17 C LIG 1 -7.433 -0.849 -0.471 0.00 0.00 +0.017 C ATOM 18 C LIG 1 -7.380 0.566 0.082 0.00 0.00 +0.084 C ENDBRANCH 13 14 ENDBRANCH 12 13 ENDBRANCH 10 12 ENDBRANCH 1 9 BRANCH 6 19 ATOM 19 C LIG 1 2.559 -0.852 -1.596 0.00 0.00 +0.094 C BRANCH 19 20 ATOM 20 C LIG 1 3.562 -1.260 -0.524 0.00 0.00 +0.087 A ATOM 21 C LIG 1 4.909 -0.589 -0.486 0.00 0.00 +0.059 A ATOM 22 N LIG 1 5.295 0.326 -1.462 0.00 0.00 -0.342 N ATOM 23 H LIG 1 5.079 0.021 -2.408 0.00 0.00 +0.146 HD ATOM 24 C LIG 1 6.558 1.053 -1.350 0.00 0.00 +0.102 C ATOM 25 C LIG 1 7.612 0.183 -0.675 0.00 0.00 +0.023 C ATOM 26 C LIG 1 7.098 -0.364 0.663 0.00 0.00 +0.044 C ATOM 27 C LIG 1 5.708 -0.922 0.540 0.00 0.00 +0.041 A ATOM 28 C LIG 1 5.266 -1.911 1.547 0.00 0.00 +0.270 A ATOM 29 O LIG 1 5.966 -2.210 2.509 0.00 0.00 -0.266 OA ATOM 30 N LIG 1 4.042 -2.485 1.327 0.00 0.00 -0.243 N ATOM 31 H LIG 1 3.715 -3.160 2.011 0.00 0.00 +0.192 HD ATOM 32 N LIG 1 3.175 -2.162 0.330 0.00 0.00 -0.174 NA ENDBRANCH 19 20 ENDBRANCH 6 19 TORSDOF 6