REMARK Name = BDB009741 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.112 0.202 0.588 0.00 0.00 -0.289 N ATOM 2 C LIG 1 -0.954 1.071 -0.254 0.00 0.00 +0.114 C ATOM 3 C LIG 1 -2.225 0.374 -0.799 0.00 0.00 +0.045 C ATOM 4 C LIG 1 -2.945 -0.347 0.349 0.00 0.00 +0.026 C ATOM 5 C LIG 1 -2.062 -1.280 1.207 0.00 0.00 +0.055 C ATOM 6 C LIG 1 -1.916 -2.650 0.512 0.00 0.00 +0.021 C ATOM 7 C LIG 1 -0.637 -0.749 1.452 0.00 0.00 +0.223 C ATOM 8 O LIG 1 0.061 -1.262 2.329 0.00 0.00 -0.275 OA ENDROOT BRANCH 2 9 ATOM 9 C LIG 1 -1.302 2.405 0.416 0.00 0.00 -0.026 A ATOM 10 C LIG 1 -1.636 2.515 1.776 0.00 0.00 +0.007 A ATOM 11 C LIG 1 -1.972 3.752 2.335 0.00 0.00 +0.020 A ATOM 12 C LIG 1 -1.983 4.894 1.539 0.00 0.00 +0.041 A ATOM 13 CL LIG 1 -2.397 6.414 2.227 0.00 0.00 -0.084 Cl ATOM 14 C LIG 1 -1.661 4.809 0.188 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -1.325 3.573 -0.370 0.00 0.00 +0.007 A ENDBRANCH 2 9 BRANCH 3 16 ATOM 16 C LIG 1 -2.059 -0.493 -2.047 0.00 0.00 -0.041 A ATOM 17 C LIG 1 -3.212 -0.842 -2.778 0.00 0.00 +0.024 A ATOM 18 C LIG 1 -3.124 -1.623 -3.931 0.00 0.00 +0.041 A ATOM 19 CL LIG 1 -4.553 -2.033 -4.797 0.00 0.00 -0.084 Cl ATOM 20 C LIG 1 -1.888 -2.070 -4.385 0.00 0.00 +0.020 A ATOM 21 C LIG 1 -0.736 -1.731 -3.680 0.00 0.00 +0.002 A ATOM 22 C LIG 1 -0.820 -0.948 -2.524 0.00 0.00 +0.004 A ENDBRANCH 3 16 BRANCH 1 23 ATOM 23 C LIG 1 1.346 0.537 0.668 0.00 0.00 +0.090 C BRANCH 23 25 ATOM 24 C LIG 1 3.143 1.812 2.005 0.00 0.00 +0.006 C ATOM 25 C LIG 1 1.720 1.273 1.976 0.00 0.00 +0.020 C ENDBRANCH 23 25 BRANCH 23 26 ATOM 26 C LIG 1 2.224 -0.731 0.405 0.00 0.00 +0.107 C BRANCH 26 27 ATOM 27 N LIG 1 3.537 -0.443 -0.217 0.00 0.00 -0.296 NA ATOM 28 C LIG 1 4.496 -1.499 0.129 0.00 0.00 +0.105 C BRANCH 27 29 ATOM 29 C LIG 1 3.367 -0.190 -1.673 0.00 0.00 +0.108 C ATOM 30 C LIG 1 4.697 0.160 -2.359 0.00 0.00 +0.181 C ATOM 31 O LIG 1 4.772 -1.159 -2.968 0.00 0.00 -0.377 OA ATOM 32 C LIG 1 3.402 -1.433 -2.573 0.00 0.00 +0.181 C ENDBRANCH 27 29 ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 1 23 BRANCH 5 33 ATOM 33 C LIG 1 -2.796 -1.451 2.566 0.00 0.00 +0.136 C BRANCH 33 34 ATOM 34 C LIG 1 -2.161 -2.384 3.566 0.00 0.00 +0.306 C ATOM 35 O LIG 1 -2.042 -3.593 3.460 0.00 0.00 -0.251 OA BRANCH 34 36 ATOM 36 O LIG 1 -1.750 -1.744 4.678 0.00 0.00 -0.481 OA ATOM 37 H LIG 1 -1.286 -2.440 5.188 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 5 33 TORSDOF 10