REMARK Name = BDB064159 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.701 -1.300 -0.592 0.00 0.00 +0.164 C ATOM 2 N LIG 1 -2.109 -0.983 -0.832 0.00 0.00 -0.286 N ATOM 3 C LIG 1 -2.614 0.210 -0.365 0.00 0.00 +0.237 C ATOM 4 O LIG 1 -1.871 1.037 0.177 0.00 0.00 -0.274 OA ATOM 5 C LIG 1 -2.829 -2.183 -1.239 0.00 0.00 +0.140 C ATOM 6 C LIG 1 -2.021 -3.302 -0.583 0.00 0.00 +0.134 C ATOM 7 C LIG 1 -0.586 -2.821 -0.764 0.00 0.00 +0.065 C ENDROOT BRANCH 1 10 ATOM 8 N LIG 1 1.490 -0.366 -1.153 0.00 0.00 -0.310 N ATOM 9 H LIG 1 1.630 -0.348 -0.151 0.00 0.00 +0.149 HD ATOM 10 C LIG 1 0.204 -0.585 -1.608 0.00 0.00 +0.234 C ATOM 11 O LIG 1 -0.154 -0.303 -2.750 0.00 0.00 -0.274 OA BRANCH 8 12 ATOM 12 C LIG 1 2.409 0.400 -1.960 0.00 0.00 +0.140 C BRANCH 12 15 ATOM 13 C LIG 1 3.192 2.535 0.017 0.00 0.00 +0.044 C ATOM 14 C LIG 1 4.137 1.430 -0.376 0.00 0.00 -0.045 A ATOM 15 C LIG 1 3.773 0.443 -1.316 0.00 0.00 -0.025 A ATOM 16 C LIG 1 4.695 -0.569 -1.630 0.00 0.00 +0.044 A ATOM 17 C LIG 1 5.959 -0.585 -1.046 0.00 0.00 +0.132 A ATOM 18 F LIG 1 6.803 -1.570 -1.391 0.00 0.00 -0.205 F ATOM 19 C LIG 1 6.348 0.395 -0.131 0.00 0.00 +0.026 A ATOM 20 C LIG 1 5.423 1.397 0.198 0.00 0.00 +0.015 A BRANCH 19 21 ATOM 21 C LIG 1 7.677 0.368 0.482 0.00 0.00 +0.044 A ATOM 22 C LIG 1 8.316 -0.627 1.212 0.00 0.00 +0.053 A ATOM 23 C LIG 1 7.774 -1.963 1.580 0.00 0.00 +0.067 C ATOM 24 N LIG 1 9.599 -0.311 1.639 0.00 0.00 -0.252 NA ATOM 25 C LIG 1 9.918 0.894 1.227 0.00 0.00 +0.156 A ATOM 26 S LIG 1 8.726 1.724 0.326 0.00 0.00 -0.075 S ENDBRANCH 19 21 ENDBRANCH 12 15 ENDBRANCH 8 12 ENDBRANCH 1 10 BRANCH 6 27 ATOM 27 O LIG 1 -2.295 -3.402 0.818 0.00 0.00 -0.390 OA ATOM 28 H LIG 1 -3.145 -2.949 1.006 0.00 0.00 +0.210 HD ENDBRANCH 6 27 BRANCH 3 29 ATOM 29 C LIG 1 -4.141 0.456 -0.444 0.00 0.00 +0.164 C BRANCH 29 30 ATOM 30 C LIG 1 -4.532 1.650 -1.369 0.00 0.00 -0.011 C ATOM 31 C LIG 1 -3.957 3.004 -0.915 0.00 0.00 +0.013 C ATOM 32 C LIG 1 -4.042 1.367 -2.804 0.00 0.00 +0.013 C ATOM 33 C LIG 1 -6.071 1.773 -1.409 0.00 0.00 +0.013 C ENDBRANCH 29 30 BRANCH 29 34 ATOM 34 N LIG 1 -4.577 0.627 0.942 0.00 0.00 -0.301 N ATOM 35 H LIG 1 -4.356 1.506 1.401 0.00 0.00 +0.150 HD ATOM 36 C LIG 1 -4.671 -0.460 1.785 0.00 0.00 +0.251 C ATOM 37 O LIG 1 -4.583 -1.629 1.417 0.00 0.00 -0.272 OA BRANCH 36 38 ATOM 38 C LIG 1 -4.846 -0.099 3.228 0.00 0.00 +0.187 C ATOM 39 C LIG 1 -4.184 -0.924 4.302 0.00 0.00 +0.053 C ATOM 40 C LIG 1 -5.677 -0.965 4.138 0.00 0.00 +0.053 C ATOM 41 F LIG 1 -4.909 1.269 3.506 0.00 0.00 -0.232 F ENDBRANCH 36 38 ENDBRANCH 29 34 ENDBRANCH 3 29 TORSDOF 9