REMARK Name = BDB009863 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.284 -2.496 0.127 0.00 0.00 +0.058 C ATOM 2 C LIG 1 0.216 -2.151 0.274 0.00 0.00 +0.223 C ATOM 3 O LIG 1 1.052 -3.057 0.231 0.00 0.00 -0.275 OA ATOM 4 N LIG 1 0.594 -0.807 0.365 0.00 0.00 -0.288 N ATOM 5 C LIG 1 -0.410 0.240 0.072 0.00 0.00 +0.114 C ATOM 6 C LIG 1 -1.716 -0.009 0.872 0.00 0.00 +0.045 C ATOM 7 C LIG 1 -2.131 -1.494 0.937 0.00 0.00 +0.027 C ENDROOT BRANCH 5 8 ATOM 8 C LIG 1 0.069 1.683 0.266 0.00 0.00 -0.026 A ATOM 9 C LIG 1 0.146 2.544 -0.843 0.00 0.00 +0.007 A ATOM 10 C LIG 1 0.558 3.870 -0.690 0.00 0.00 +0.020 A ATOM 11 C LIG 1 0.902 4.349 0.571 0.00 0.00 +0.041 A ATOM 12 CL LIG 1 1.424 5.977 0.753 0.00 0.00 -0.084 Cl ATOM 13 C LIG 1 0.829 3.516 1.683 0.00 0.00 +0.020 A ATOM 14 C LIG 1 0.408 2.192 1.532 0.00 0.00 +0.007 A ENDBRANCH 5 8 BRANCH 6 15 ATOM 15 C LIG 1 -2.871 0.884 0.424 0.00 0.00 -0.041 A ATOM 16 C LIG 1 -3.407 1.825 1.322 0.00 0.00 +0.024 A ATOM 17 C LIG 1 -4.450 2.666 0.930 0.00 0.00 +0.041 A ATOM 18 CL LIG 1 -5.082 3.815 2.044 0.00 0.00 -0.084 Cl ATOM 19 C LIG 1 -4.979 2.584 -0.354 0.00 0.00 +0.020 A ATOM 20 C LIG 1 -4.461 1.654 -1.253 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -3.414 0.812 -0.868 0.00 0.00 +0.004 A ENDBRANCH 6 15 BRANCH 1 23 ATOM 22 C LIG 1 -2.972 -2.966 -1.831 0.00 0.00 +0.005 C ATOM 23 C LIG 1 -1.583 -2.514 -1.401 0.00 0.00 +0.013 C ENDBRANCH 1 23 BRANCH 4 24 ATOM 24 C LIG 1 2.057 -0.499 0.303 0.00 0.00 +0.101 C BRANCH 24 25 ATOM 25 C LIG 1 2.770 -1.158 1.472 0.00 0.00 +0.011 C ATOM 26 C LIG 1 2.273 -1.015 2.894 0.00 0.00 +0.006 C ATOM 27 C LIG 1 3.533 -0.320 2.473 0.00 0.00 +0.006 C ENDBRANCH 24 25 BRANCH 24 28 ATOM 28 C LIG 1 2.653 -0.874 -1.054 0.00 0.00 +0.189 C BRANCH 28 29 ATOM 29 S LIG 1 4.206 -0.087 -1.402 0.00 0.00 -0.026 S ATOM 30 O LIG 1 5.115 -0.280 -0.292 0.00 0.00 -0.174 OA ATOM 31 O LIG 1 4.591 -0.474 -2.747 0.00 0.00 -0.174 OA BRANCH 29 32 ATOM 32 C LIG 1 3.843 1.700 -1.434 0.00 0.00 +0.131 C ATOM 33 C LIG 1 4.809 2.491 -2.277 0.00 0.00 +0.028 C ATOM 34 C LIG 1 3.407 2.243 -2.768 0.00 0.00 +0.028 C ENDBRANCH 29 32 ENDBRANCH 28 29 ENDBRANCH 24 28 ENDBRANCH 4 24 BRANCH 1 35 ATOM 35 C LIG 1 -1.413 -3.941 0.721 0.00 0.00 +0.136 C BRANCH 35 36 ATOM 36 C LIG 1 -2.789 -4.482 1.044 0.00 0.00 +0.306 C ATOM 37 O LIG 1 -3.838 -3.864 0.999 0.00 0.00 -0.251 OA BRANCH 36 38 ATOM 38 O LIG 1 -2.743 -5.781 1.425 0.00 0.00 -0.481 OA ATOM 39 H LIG 1 -1.844 -6.163 1.433 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 1 35 TORSDOF 11