REMARK Name = BDB020570 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.008 2.833 -0.650 0.00 0.00 +0.041 C ATOM 2 C LIG 1 -3.246 1.928 0.557 0.00 0.00 +0.171 C ATOM 3 N LIG 1 -2.253 0.869 0.633 0.00 0.00 -0.318 N ATOM 4 C LIG 1 -1.058 1.067 1.282 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -0.362 -0.105 1.104 0.00 0.00 +0.094 A ATOM 6 N LIG 1 -1.117 -1.002 0.394 0.00 0.00 -0.232 NA ATOM 7 C LIG 1 -0.774 2.351 1.954 0.00 0.00 +0.163 C ATOM 8 N LIG 1 -2.017 2.864 2.518 0.00 0.00 -0.297 N ATOM 9 C LIG 1 -1.903 3.795 3.627 0.00 0.00 +0.132 C ATOM 10 C LIG 1 -2.286 -0.427 0.175 0.00 0.00 +0.114 A ATOM 11 C LIG 1 -3.225 2.779 1.829 0.00 0.00 +0.238 C ATOM 12 O LIG 1 -4.239 3.385 2.180 0.00 0.00 -0.273 OA ENDROOT BRANCH 5 13 ATOM 13 C LIG 1 0.977 -0.389 1.581 0.00 0.00 +0.011 A ATOM 14 C LIG 1 2.056 -0.614 0.681 0.00 0.00 +0.010 A ATOM 15 C LIG 1 3.342 -0.852 1.196 0.00 0.00 +0.072 A ATOM 16 N LIG 1 4.413 -1.050 0.412 0.00 0.00 -0.246 NA ATOM 17 C LIG 1 4.273 -1.045 -0.942 0.00 0.00 +0.083 A ATOM 18 C LIG 1 3.053 -0.813 -1.562 0.00 0.00 +0.044 A ATOM 19 C LIG 1 3.524 -0.881 2.572 0.00 0.00 +0.028 A ATOM 20 C LIG 1 2.468 -0.683 3.461 0.00 0.00 +0.003 A ATOM 21 C LIG 1 1.942 -0.606 -0.726 0.00 0.00 +0.022 A ATOM 22 C LIG 1 1.194 -0.437 2.965 0.00 0.00 +0.011 A BRANCH 17 23 ATOM 23 C LIG 1 5.519 -1.290 -1.650 0.00 0.00 +0.038 A ATOM 24 C LIG 1 6.739 -0.775 -1.254 0.00 0.00 +0.118 A ATOM 25 N LIG 1 7.663 -1.248 -2.136 0.00 0.00 -0.274 N ATOM 26 C LIG 1 9.081 -0.984 -2.133 0.00 0.00 +0.172 C ATOM 27 N LIG 1 7.140 -2.050 -3.081 0.00 0.00 -0.179 NA ATOM 28 C LIG 1 5.839 -2.084 -2.774 0.00 0.00 +0.144 A ENDBRANCH 17 23 BRANCH 18 29 ATOM 29 C LIG 1 2.872 -0.767 -3.047 0.00 0.00 +0.374 C ATOM 30 F LIG 1 2.941 -1.996 -3.628 0.00 0.00 -0.204 F ATOM 31 F LIG 1 3.785 0.014 -3.684 0.00 0.00 -0.204 F ENDBRANCH 18 29 ENDBRANCH 5 13 BRANCH 10 32 ATOM 32 C LIG 1 -3.452 -1.156 -0.444 0.00 0.00 +0.058 C ATOM 33 C LIG 1 -4.600 -1.393 0.559 0.00 0.00 +0.034 C ATOM 34 C LIG 1 -5.972 -0.958 0.068 0.00 0.00 +0.166 C ATOM 35 S LIG 1 -6.389 -1.673 -1.509 0.00 0.00 -0.031 S ATOM 36 O LIG 1 -7.414 -0.835 -2.099 0.00 0.00 -0.174 OA ATOM 37 O LIG 1 -6.605 -3.092 -1.307 0.00 0.00 -0.174 OA ATOM 38 C LIG 1 -4.901 -1.476 -2.477 0.00 0.00 +0.166 C ATOM 39 C LIG 1 -3.886 -0.572 -1.793 0.00 0.00 +0.034 C ENDBRANCH 10 32 TORSDOF 4