REMARK Name = BDB013424 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.908 0.816 1.098 0.00 0.00 -0.028 A ATOM 2 C LIG 1 -1.212 2.178 0.907 0.00 0.00 -0.046 A ATOM 3 C LIG 1 -2.153 2.963 1.780 0.00 0.00 +0.044 C ATOM 4 C LIG 1 -0.628 2.861 -0.175 0.00 0.00 +0.004 A ATOM 5 C LIG 1 0.286 2.238 -1.028 0.00 0.00 +0.004 A ATOM 6 C LIG 1 0.656 0.910 -0.817 0.00 0.00 -0.039 A ATOM 7 C LIG 1 0.057 0.226 0.255 0.00 0.00 +0.009 A ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 -1.542 -0.060 2.165 0.00 0.00 +0.145 C BRANCH 8 19 ATOM 9 C LIG 1 -5.354 -0.503 1.350 0.00 0.00 +0.191 C ATOM 10 O LIG 1 -5.467 -1.430 0.260 0.00 0.00 -0.470 OA ATOM 11 C LIG 1 -4.600 -1.220 -0.773 0.00 0.00 +0.242 A ATOM 12 C LIG 1 -3.274 -1.600 -0.689 0.00 0.00 +0.167 A ATOM 13 C LIG 1 -2.447 -1.444 -1.796 0.00 0.00 +0.035 A ATOM 14 C LIG 1 -2.988 -0.891 -2.952 0.00 0.00 +0.022 A ATOM 15 C LIG 1 -4.327 -0.524 -2.946 0.00 0.00 +0.115 A ATOM 16 S LIG 1 -2.691 -2.174 0.856 0.00 0.00 +0.066 S ATOM 17 O LIG 1 -1.296 -2.538 0.712 0.00 0.00 -0.153 OA ATOM 18 O LIG 1 -3.628 -3.151 1.363 0.00 0.00 -0.153 OA ATOM 19 N LIG 1 -2.803 -0.763 1.800 0.00 0.00 -0.169 NA ATOM 20 N LIG 1 -5.148 -0.680 -1.882 0.00 0.00 -0.220 NA ATOM 21 C LIG 1 -3.973 0.146 1.605 0.00 0.00 +0.154 C BRANCH 9 23 ATOM 22 C LIG 1 -7.316 -1.695 2.460 0.00 0.00 +0.007 C ATOM 23 C LIG 1 -5.899 -1.163 2.630 0.00 0.00 +0.042 C ENDBRANCH 9 23 ENDBRANCH 8 19 ENDBRANCH 1 8 BRANCH 6 24 ATOM 24 C LIG 1 1.689 0.172 -1.668 0.00 0.00 +0.060 C BRANCH 24 25 ATOM 25 C LIG 1 3.075 0.160 -1.004 0.00 0.00 -0.034 A ATOM 26 C LIG 1 3.711 -1.058 -0.625 0.00 0.00 -0.017 A ATOM 27 C LIG 1 3.064 -2.400 -0.825 0.00 0.00 +0.046 C ATOM 28 C LIG 1 4.993 -0.965 -0.036 0.00 0.00 +0.116 A ATOM 29 N LIG 1 5.831 -1.955 0.416 0.00 0.00 -0.129 NA ATOM 30 N LIG 1 6.931 -1.387 0.889 0.00 0.00 -0.065 NA ATOM 31 N LIG 1 6.792 -0.057 0.743 0.00 0.00 -0.244 N ATOM 32 C LIG 1 5.597 0.270 0.159 0.00 0.00 +0.089 A ATOM 33 C LIG 1 4.998 1.476 -0.198 0.00 0.00 +0.030 A ATOM 34 C LIG 1 3.732 1.391 -0.784 0.00 0.00 +0.007 A BRANCH 31 35 ATOM 35 C LIG 1 7.846 0.829 1.183 0.00 0.00 +0.142 C ATOM 36 C LIG 1 7.668 1.261 2.627 0.00 0.00 +0.029 C ENDBRANCH 31 35 ENDBRANCH 24 25 BRANCH 24 37 ATOM 37 C LIG 1 1.825 0.625 -3.132 0.00 0.00 +0.133 C BRANCH 37 38 ATOM 38 C LIG 1 0.580 0.305 -3.915 0.00 0.00 +0.306 C ATOM 39 O LIG 1 -0.296 1.115 -4.174 0.00 0.00 -0.251 OA BRANCH 38 40 ATOM 40 O LIG 1 0.504 -0.986 -4.312 0.00 0.00 -0.481 OA ATOM 41 H LIG 1 1.285 -1.529 -4.090 0.00 0.00 +0.295 HD ENDBRANCH 38 40 ENDBRANCH 37 38 ENDBRANCH 24 37 ENDBRANCH 6 24 TORSDOF 9