REMARK Name = BDB013293 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.542 0.837 -0.162 0.00 0.00 -0.280 N ATOM 2 C LIG 1 -0.647 0.057 0.269 0.00 0.00 +0.114 C ATOM 3 C LIG 1 -1.296 -0.703 -0.940 0.00 0.00 +0.045 C ATOM 4 C LIG 1 -1.247 0.123 -2.246 0.00 0.00 +0.023 C ATOM 5 C LIG 1 -0.926 1.599 -1.989 0.00 0.00 +0.086 C ATOM 6 C LIG 1 0.430 1.654 -1.292 0.00 0.00 +0.220 C ATOM 7 O LIG 1 1.341 2.365 -1.707 0.00 0.00 -0.275 OA ENDROOT BRANCH 2 8 ATOM 8 C LIG 1 -0.498 -0.832 1.501 0.00 0.00 -0.026 A ATOM 9 C LIG 1 -1.025 -0.394 2.732 0.00 0.00 +0.007 A ATOM 10 C LIG 1 -0.932 -1.186 3.880 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -0.316 -2.431 3.812 0.00 0.00 +0.041 A ATOM 12 CL LIG 1 -0.200 -3.407 5.223 0.00 0.00 -0.084 Cl ATOM 13 C LIG 1 0.201 -2.891 2.605 0.00 0.00 +0.020 A ATOM 14 C LIG 1 0.105 -2.099 1.457 0.00 0.00 +0.007 A ENDBRANCH 2 8 BRANCH 3 15 ATOM 15 C LIG 1 -2.722 -1.158 -0.635 0.00 0.00 -0.041 A ATOM 16 C LIG 1 -3.006 -2.530 -0.536 0.00 0.00 +0.024 A ATOM 17 C LIG 1 -4.299 -2.966 -0.241 0.00 0.00 +0.041 A ATOM 18 CL LIG 1 -4.623 -4.651 -0.119 0.00 0.00 -0.084 Cl ATOM 19 C LIG 1 -5.326 -2.048 -0.044 0.00 0.00 +0.020 A ATOM 20 C LIG 1 -5.059 -0.684 -0.142 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -3.767 -0.241 -0.435 0.00 0.00 +0.004 A ENDBRANCH 3 15 BRANCH 1 22 ATOM 22 C LIG 1 1.882 0.758 0.489 0.00 0.00 +0.185 C BRANCH 22 23 ATOM 23 C LIG 1 2.656 -0.538 0.176 0.00 0.00 +0.328 C ATOM 24 O LIG 1 3.634 -0.928 0.801 0.00 0.00 -0.249 OA BRANCH 23 25 ATOM 25 O LIG 1 2.171 -1.147 -0.949 0.00 0.00 -0.464 OA BRANCH 25 26 ATOM 26 C LIG 1 2.900 -2.296 -1.405 0.00 0.00 +0.229 C ATOM 27 C LIG 1 4.040 -1.865 -2.309 0.00 0.00 +0.048 C ENDBRANCH 25 26 ENDBRANCH 23 25 ENDBRANCH 22 23 BRANCH 22 28 ATOM 28 C LIG 1 1.869 1.112 1.988 0.00 0.00 +0.034 C BRANCH 28 30 ATOM 29 C LIG 1 3.094 3.352 1.983 0.00 0.00 +0.004 C ATOM 30 C LIG 1 3.101 1.903 2.451 0.00 0.00 -0.001 C ENDBRANCH 28 30 ENDBRANCH 22 28 ENDBRANCH 1 22 BRANCH 5 31 ATOM 31 C LIG 1 -0.905 2.379 -3.310 0.00 0.00 +0.133 C BRANCH 31 32 ATOM 32 C LIG 1 -0.766 3.870 -3.142 0.00 0.00 +0.305 C ATOM 33 O LIG 1 -0.347 4.641 -3.991 0.00 0.00 -0.251 OA BRANCH 32 34 ATOM 34 O LIG 1 -1.246 4.346 -1.979 0.00 0.00 -0.481 OA ATOM 35 H LIG 1 -1.065 5.309 -2.041 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 5 31 TORSDOF 11