REMARK Name = BDB009748 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.475 -0.838 0.028 0.00 0.00 -0.288 N ATOM 2 C LIG 1 -0.599 0.140 -0.298 0.00 0.00 +0.114 C ATOM 3 C LIG 1 -1.868 -0.016 0.603 0.00 0.00 +0.045 C ATOM 4 C LIG 1 -2.219 -1.460 0.998 0.00 0.00 +0.026 C ATOM 5 C LIG 1 -1.317 -2.556 0.422 0.00 0.00 +0.055 C ATOM 6 C LIG 1 -1.656 -2.880 -1.045 0.00 0.00 +0.021 C ATOM 7 C LIG 1 0.151 -2.117 0.495 0.00 0.00 +0.223 C ATOM 8 O LIG 1 1.016 -2.907 0.879 0.00 0.00 -0.275 OA ENDROOT BRANCH 2 9 ATOM 9 C LIG 1 -0.155 1.608 -0.253 0.00 0.00 -0.026 A ATOM 10 C LIG 1 0.225 2.232 0.950 0.00 0.00 +0.007 A ATOM 11 C LIG 1 0.585 3.582 0.976 0.00 0.00 +0.020 A ATOM 12 C LIG 1 0.557 4.327 -0.199 0.00 0.00 +0.041 A ATOM 13 CL LIG 1 1.003 5.988 -0.167 0.00 0.00 -0.084 Cl ATOM 14 C LIG 1 0.167 3.737 -1.397 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -0.194 2.387 -1.423 0.00 0.00 +0.007 A ENDBRANCH 2 9 BRANCH 3 16 ATOM 16 C LIG 1 -3.085 0.705 0.022 0.00 0.00 -0.041 A ATOM 17 C LIG 1 -3.672 0.307 -1.190 0.00 0.00 +0.024 A ATOM 18 C LIG 1 -4.773 0.995 -1.702 0.00 0.00 +0.041 A ATOM 19 CL LIG 1 -5.472 0.491 -3.192 0.00 0.00 -0.084 Cl ATOM 20 C LIG 1 -5.307 2.085 -1.022 0.00 0.00 +0.020 A ATOM 21 C LIG 1 -4.736 2.490 0.183 0.00 0.00 +0.002 A ATOM 22 C LIG 1 -3.634 1.806 0.701 0.00 0.00 +0.004 A ENDBRANCH 3 16 BRANCH 1 23 ATOM 23 C LIG 1 1.860 -0.719 -0.557 0.00 0.00 +0.105 C BRANCH 23 24 ATOM 24 C LIG 1 2.820 0.210 0.241 0.00 0.00 +0.139 C ATOM 25 O LIG 1 4.149 0.138 -0.290 0.00 0.00 -0.375 OA ATOM 26 C LIG 1 5.005 1.170 0.205 0.00 0.00 +0.160 C ATOM 27 C LIG 1 4.697 1.587 1.642 0.00 0.00 +0.028 C ATOM 28 C LIG 1 4.116 0.426 2.431 0.00 0.00 +0.005 C ATOM 29 C LIG 1 2.898 -0.177 1.728 0.00 0.00 +0.033 C ENDBRANCH 23 24 BRANCH 23 31 ATOM 30 C LIG 1 2.993 -1.000 -2.865 0.00 0.00 +0.006 C ATOM 31 C LIG 1 1.819 -0.425 -2.079 0.00 0.00 +0.022 C ENDBRANCH 23 31 ENDBRANCH 1 23 BRANCH 5 32 ATOM 32 C LIG 1 -1.464 -3.855 1.262 0.00 0.00 +0.136 C BRANCH 32 33 ATOM 33 C LIG 1 -2.870 -4.377 1.351 0.00 0.00 +0.306 C ATOM 34 O LIG 1 -3.728 -4.002 2.132 0.00 0.00 -0.251 OA BRANCH 33 35 ATOM 35 O LIG 1 -3.139 -5.324 0.434 0.00 0.00 -0.481 OA ATOM 36 H LIG 1 -4.070 -5.576 0.612 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 5 32 TORSDOF 8