REMARK Name = BDB024660 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.904 -1.827 -1.249 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.825 -2.119 -0.397 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.787 -3.407 0.340 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.858 -3.446 1.444 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.439 -3.742 1.000 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.288 -3.308 0.123 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.405 -1.824 -0.064 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.278 -0.975 -0.008 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.029 -1.296 0.252 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.701 -0.162 0.234 0.00 0.00 +0.112 A ATOM 11 N LIG 1 0.130 0.898 -0.090 0.00 0.00 -0.324 N ATOM 12 C LIG 1 1.413 0.391 -0.219 0.00 0.00 +0.069 A ATOM 13 C LIG 1 2.656 0.972 -0.484 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.771 0.124 -0.539 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.672 -1.260 -0.338 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.040 -0.814 -1.930 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -0.260 2.298 -0.256 0.00 0.00 +0.089 C ATOM 18 C LIG 1 0.022 2.847 -1.662 0.00 0.00 +0.027 C ATOM 19 C LIG 1 -0.580 4.247 -1.858 0.00 0.00 +0.033 C ATOM 20 C LIG 1 -0.608 5.097 -0.577 0.00 0.00 +0.118 C ATOM 21 C LIG 1 0.495 4.661 0.391 0.00 0.00 +0.033 C ATOM 22 C LIG 1 0.319 3.207 0.847 0.00 0.00 +0.027 C BRANCH 20 23 ATOM 23 O LIG 1 -1.889 4.911 0.037 0.00 0.00 -0.380 OA ATOM 24 C LIG 1 -2.283 6.005 0.853 0.00 0.00 +0.194 C ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 1 26 ATOM 25 C LIG 1 7.921 -2.621 -2.175 0.00 0.00 +0.282 C ATOM 26 O LIG 1 6.819 -2.844 -1.294 0.00 0.00 -0.453 OA ENDBRANCH 1 26 BRANCH 10 27 ATOM 27 C LIG 1 -2.164 -0.087 0.553 0.00 0.00 +0.093 C BRANCH 27 28 ATOM 28 C LIG 1 -3.002 -0.890 -0.458 0.00 0.00 +0.135 C BRANCH 28 29 ATOM 29 C LIG 1 -4.380 -1.196 0.117 0.00 0.00 -0.032 A ATOM 30 C LIG 1 -4.700 -2.502 0.517 0.00 0.00 +0.024 A ATOM 31 C LIG 1 -5.957 -2.795 1.057 0.00 0.00 +0.044 A ATOM 32 CL LIG 1 -6.277 -4.431 1.508 0.00 0.00 -0.083 Cl ATOM 33 C LIG 1 -6.918 -1.789 1.221 0.00 0.00 -0.032 A ATOM 34 C LIG 1 -8.281 -2.070 1.788 0.00 0.00 +0.045 C ATOM 35 C LIG 1 -6.594 -0.484 0.822 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -5.339 -0.191 0.282 0.00 0.00 +0.005 A ENDBRANCH 28 29 BRANCH 28 37 ATOM 37 C LIG 1 -3.106 -0.161 -1.792 0.00 0.00 +0.313 C ATOM 38 O LIG 1 -2.747 0.991 -1.998 0.00 0.00 -0.250 OA BRANCH 37 39 ATOM 39 O LIG 1 -3.678 -0.908 -2.771 0.00 0.00 -0.480 OA ATOM 40 H LIG 1 -3.896 -1.819 -2.499 0.00 0.00 +0.295 HD ENDBRANCH 37 39 ENDBRANCH 28 37 ENDBRANCH 27 28 ENDBRANCH 10 27 TORSDOF 8