REMARK Name = BDB025139 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -6.089 -1.374 0.278 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -5.026 -1.250 1.193 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -5.244 -1.946 2.475 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -5.145 -3.470 2.295 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -4.326 -1.457 3.593 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -2.880 -1.558 3.158 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -2.685 -0.794 1.880 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -1.421 -0.226 1.596 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.262 -0.306 2.326 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 0.648 0.370 1.651 0.00 0.00 +0.115 A ATOM 11 N LIG 1 0.093 0.937 0.517 0.00 0.00 -0.324 N ATOM 12 C LIG 1 -1.229 0.541 0.456 0.00 0.00 +0.069 A ATOM 13 C LIG 1 -2.264 0.782 -0.444 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -3.509 0.196 -0.168 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -3.742 -0.629 0.946 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -7.215 -1.747 0.605 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 0.793 1.770 -0.456 0.00 0.00 +0.089 C ATOM 18 C LIG 1 0.201 3.188 -0.586 0.00 0.00 +0.026 C ATOM 19 C LIG 1 0.329 3.772 -1.997 0.00 0.00 +0.017 C ATOM 20 C LIG 1 1.641 3.398 -2.689 0.00 0.00 +0.098 C ATOM 21 C LIG 1 1.876 1.879 -2.743 0.00 0.00 +0.017 C ATOM 22 C LIG 1 0.963 1.075 -1.811 0.00 0.00 +0.026 C BRANCH 20 23 ATOM 23 C LIG 1 2.794 4.114 -2.013 0.00 0.00 +0.308 C ATOM 24 O LIG 1 3.427 3.724 -1.045 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 3.055 5.310 -2.570 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 3.796 5.677 -2.043 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 -6.835 -1.326 -1.949 0.00 0.00 +0.282 C ATOM 28 O LIG 1 -5.767 -1.127 -1.022 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 2.089 0.482 2.058 0.00 0.00 +0.109 C BRANCH 29 30 ATOM 30 C LIG 1 3.017 -0.364 1.210 0.00 0.00 -0.036 A ATOM 31 C LIG 1 4.079 0.221 0.503 0.00 0.00 +0.053 A ATOM 32 C LIG 1 4.933 -0.560 -0.288 0.00 0.00 +0.162 A ATOM 33 C LIG 1 4.731 -1.952 -0.367 0.00 0.00 +0.161 A ATOM 34 C LIG 1 3.679 -2.537 0.345 0.00 0.00 +0.049 A ATOM 35 C LIG 1 2.833 -1.750 1.129 0.00 0.00 +0.008 A BRANCH 32 36 ATOM 36 O LIG 1 5.988 -0.064 -1.015 0.00 0.00 -0.491 OA ATOM 37 C LIG 1 6.223 1.335 -0.967 0.00 0.00 +0.277 C ENDBRANCH 32 36 BRANCH 33 38 ATOM 38 O LIG 1 5.606 -2.646 -1.166 0.00 0.00 -0.491 OA ATOM 39 C LIG 1 5.474 -4.059 -1.212 0.00 0.00 +0.277 C ENDBRANCH 33 38 ENDBRANCH 29 30 ENDBRANCH 10 29 TORSDOF 8