REMARK Name = BDB009707 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.230 1.028 0.757 0.00 0.00 -0.282 N ATOM 2 C LIG 1 -0.567 -0.035 0.100 0.00 0.00 +0.114 C ATOM 3 C LIG 1 -2.118 0.098 0.250 0.00 0.00 +0.045 C ATOM 4 C LIG 1 -2.516 1.141 1.295 0.00 0.00 +0.026 C ATOM 5 C LIG 1 -1.793 2.481 1.075 0.00 0.00 +0.055 C ATOM 6 C LIG 1 -2.256 3.430 2.205 0.00 0.00 +0.021 C ATOM 7 C LIG 1 -0.289 2.237 1.213 0.00 0.00 +0.223 C ATOM 8 O LIG 1 0.431 3.107 1.705 0.00 0.00 -0.275 OA ENDROOT BRANCH 2 9 ATOM 9 C LIG 1 -0.222 -0.209 -1.385 0.00 0.00 -0.026 A ATOM 10 C LIG 1 -0.451 -1.452 -2.004 0.00 0.00 +0.007 A ATOM 11 C LIG 1 -0.185 -1.639 -3.362 0.00 0.00 +0.020 A ATOM 12 C LIG 1 0.318 -0.585 -4.119 0.00 0.00 +0.041 A ATOM 13 CL LIG 1 0.654 -0.817 -5.790 0.00 0.00 -0.084 Cl ATOM 14 C LIG 1 0.558 0.651 -3.528 0.00 0.00 +0.020 A ATOM 15 C LIG 1 0.289 0.838 -2.169 0.00 0.00 +0.007 A ENDBRANCH 2 9 BRANCH 3 16 ATOM 16 C LIG 1 -2.814 -1.233 0.535 0.00 0.00 -0.041 A ATOM 17 C LIG 1 -2.539 -1.978 1.694 0.00 0.00 +0.024 A ATOM 18 C LIG 1 -3.186 -3.193 1.923 0.00 0.00 +0.041 A ATOM 19 CL LIG 1 -2.827 -4.093 3.345 0.00 0.00 -0.084 Cl ATOM 20 C LIG 1 -4.116 -3.683 1.011 0.00 0.00 +0.020 A ATOM 21 C LIG 1 -4.403 -2.952 -0.140 0.00 0.00 +0.002 A ATOM 22 C LIG 1 -3.758 -1.735 -0.375 0.00 0.00 +0.004 A ENDBRANCH 3 16 BRANCH 1 23 ATOM 23 C LIG 1 1.667 0.779 1.068 0.00 0.00 +0.162 C BRANCH 23 24 ATOM 24 C LIG 1 2.454 -0.242 0.249 0.00 0.00 +0.207 C ATOM 25 O LIG 1 2.154 -1.545 0.454 0.00 0.00 -0.476 OA ATOM 26 C LIG 1 2.907 -2.250 -0.527 0.00 0.00 +0.260 C ATOM 27 C LIG 1 3.945 -1.242 -0.997 0.00 0.00 +0.093 C ATOM 28 C LIG 1 5.289 -1.438 -0.287 0.00 0.00 +0.039 C ATOM 29 C LIG 1 4.135 -1.266 -2.509 0.00 0.00 +0.039 C ATOM 30 N LIG 1 3.398 0.065 -0.586 0.00 0.00 -0.244 NA ENDBRANCH 23 24 BRANCH 23 32 ATOM 31 C LIG 1 1.022 -0.493 3.239 0.00 0.00 +0.006 C ATOM 32 C LIG 1 1.927 0.537 2.577 0.00 0.00 +0.029 C ENDBRANCH 23 32 ENDBRANCH 1 23 BRANCH 5 33 ATOM 33 C LIG 1 -2.119 3.105 -0.296 0.00 0.00 +0.136 C BRANCH 33 34 ATOM 34 C LIG 1 -1.439 4.429 -0.528 0.00 0.00 +0.306 C ATOM 35 O LIG 1 -1.879 5.525 -0.228 0.00 0.00 -0.251 OA BRANCH 34 36 ATOM 36 O LIG 1 -0.241 4.297 -1.124 0.00 0.00 -0.481 OA ATOM 37 H LIG 1 0.130 5.205 -1.123 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 5 33 TORSDOF 8