REMARK Name = BDB009483 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.259 1.319 -0.107 0.00 0.00 +0.072 A ATOM 2 C LIG 1 1.270 2.436 -0.939 0.00 0.00 +0.135 A ATOM 3 F LIG 1 0.197 2.761 -1.674 0.00 0.00 -0.205 F ATOM 4 C LIG 1 2.404 3.239 -1.022 0.00 0.00 +0.039 A ATOM 5 C LIG 1 3.545 2.907 -0.289 0.00 0.00 +0.007 A ATOM 6 C LIG 1 3.565 1.763 0.525 0.00 0.00 -0.041 A ATOM 7 C LIG 1 2.408 0.976 0.617 0.00 0.00 +0.020 A ENDROOT BRANCH 1 10 ATOM 8 C LIG 1 -1.388 2.247 0.857 0.00 0.00 +0.132 C ATOM 9 N LIG 1 -1.174 0.932 0.257 0.00 0.00 -0.297 N ATOM 10 C LIG 1 0.092 0.421 -0.045 0.00 0.00 +0.249 C ATOM 11 O LIG 1 0.305 -0.772 -0.263 0.00 0.00 -0.270 OA BRANCH 9 12 ATOM 12 C LIG 1 -2.320 0.008 0.155 0.00 0.00 +0.079 C ATOM 13 C LIG 1 -2.563 -0.733 1.474 0.00 0.00 +0.041 C ATOM 14 C LIG 1 -3.697 -1.738 1.325 0.00 0.00 +0.109 C ATOM 15 N LIG 1 -4.917 -1.139 0.775 0.00 0.00 -0.300 N ATOM 16 C LIG 1 -6.119 -1.784 1.095 0.00 0.00 +0.233 C ATOM 17 O LIG 1 -6.167 -2.673 1.953 0.00 0.00 -0.274 OA ATOM 18 C LIG 1 -4.740 -0.340 -0.440 0.00 0.00 +0.109 C ATOM 19 C LIG 1 -3.616 0.682 -0.304 0.00 0.00 +0.041 C BRANCH 16 20 ATOM 20 C LIG 1 -7.417 -1.294 0.419 0.00 0.00 +0.151 C ATOM 21 N LIG 1 -8.468 -2.341 0.521 0.00 0.00 -0.296 NA ATOM 22 H LIG 1 -8.470 -2.667 1.492 0.00 0.00 +0.123 HD ATOM 23 C LIG 1 -9.743 -1.700 0.232 0.00 0.00 +0.151 C ATOM 24 S LIG 1 -9.684 -0.004 0.841 0.00 0.00 -0.143 S ATOM 25 C LIG 1 -7.906 -0.051 1.155 0.00 0.00 +0.098 C ENDBRANCH 16 20 ENDBRANCH 9 12 ENDBRANCH 1 10 BRANCH 6 26 ATOM 26 C LIG 1 4.809 1.387 1.300 0.00 0.00 +0.094 C BRANCH 26 27 ATOM 27 C LIG 1 6.032 1.194 0.412 0.00 0.00 +0.087 A ATOM 28 C LIG 1 6.198 -0.108 -0.322 0.00 0.00 +0.059 A ATOM 29 N LIG 1 5.244 -1.115 -0.232 0.00 0.00 -0.342 N ATOM 30 H LIG 1 4.285 -0.774 -0.278 0.00 0.00 +0.146 HD ATOM 31 C LIG 1 5.443 -2.406 -0.882 0.00 0.00 +0.102 C ATOM 32 C LIG 1 6.258 -2.236 -2.161 0.00 0.00 +0.023 C ATOM 33 C LIG 1 7.557 -1.466 -1.889 0.00 0.00 +0.044 C ATOM 34 C LIG 1 7.311 -0.238 -1.059 0.00 0.00 +0.041 A ATOM 35 C LIG 1 8.300 0.860 -1.123 0.00 0.00 +0.270 A ATOM 36 O LIG 1 9.338 0.759 -1.769 0.00 0.00 -0.266 OA ATOM 37 N LIG 1 7.982 1.997 -0.428 0.00 0.00 -0.243 N ATOM 38 H LIG 1 8.651 2.759 -0.458 0.00 0.00 +0.192 HD ATOM 39 N LIG 1 6.876 2.183 0.345 0.00 0.00 -0.174 NA ENDBRANCH 26 27 ENDBRANCH 6 26 TORSDOF 5