REMARK Name = BDB041237 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.357 -0.365 -0.310 0.00 0.00 -0.311 N ATOM 2 C LIG 1 -0.227 -0.469 -1.766 0.00 0.00 +0.131 C ENDROOT BRANCH 1 4 ATOM 3 C LIG 1 -1.981 -0.894 1.438 0.00 0.00 +0.178 A ATOM 4 C LIG 1 -1.704 -0.492 0.124 0.00 0.00 +0.167 A ATOM 5 N LIG 1 -2.694 -0.235 -0.758 0.00 0.00 -0.207 NA ATOM 6 C LIG 1 -3.961 -0.365 -0.335 0.00 0.00 +0.180 A ATOM 7 N LIG 1 -4.326 -0.722 0.899 0.00 0.00 -0.231 NA ATOM 8 C LIG 1 -3.321 -0.983 1.758 0.00 0.00 +0.162 A BRANCH 6 9 ATOM 9 C LIG 1 -5.000 -0.051 -1.304 0.00 0.00 +0.109 A ATOM 10 N LIG 1 -6.313 -0.462 -1.225 0.00 0.00 -0.257 N ATOM 11 N LIG 1 -7.076 -0.066 -2.263 0.00 0.00 -0.178 NA ATOM 12 C LIG 1 -6.238 0.630 -3.024 0.00 0.00 +0.138 A ATOM 13 C LIG 1 -4.933 0.678 -2.492 0.00 0.00 -0.002 A ATOM 14 C LIG 1 -3.763 1.364 -3.093 0.00 0.00 +0.048 C BRANCH 10 15 ATOM 15 C LIG 1 -6.904 -1.334 -0.173 0.00 0.00 +0.108 C ATOM 16 C LIG 1 -8.390 -1.380 0.108 0.00 0.00 +0.029 C ATOM 17 C LIG 1 -7.463 -0.764 1.111 0.00 0.00 +0.029 C ENDBRANCH 10 15 ENDBRANCH 6 9 BRANCH 3 19 ATOM 18 C LIG 1 -1.255 -1.697 3.559 0.00 0.00 +0.277 C ATOM 19 O LIG 1 -0.938 -1.169 2.278 0.00 0.00 -0.490 OA ENDBRANCH 3 19 ENDBRANCH 1 4 BRANCH 1 20 ATOM 20 C LIG 1 0.260 0.842 0.269 0.00 0.00 +0.141 C BRANCH 20 21 ATOM 21 C LIG 1 1.773 0.766 0.214 0.00 0.00 -0.030 A ATOM 22 C LIG 1 2.450 -0.334 0.760 0.00 0.00 +0.006 A ATOM 23 C LIG 1 3.846 -0.404 0.720 0.00 0.00 +0.012 A ATOM 24 C LIG 1 4.593 0.634 0.152 0.00 0.00 +0.017 A ATOM 25 C LIG 1 3.916 1.727 -0.404 0.00 0.00 +0.012 A ATOM 26 C LIG 1 2.520 1.798 -0.367 0.00 0.00 +0.006 A BRANCH 24 27 ATOM 27 C LIG 1 6.057 0.594 0.091 0.00 0.00 +0.141 A ATOM 28 N LIG 1 6.903 0.313 1.143 0.00 0.00 -0.333 N ATOM 29 C LIG 1 6.536 0.076 2.519 0.00 0.00 +0.150 C ATOM 30 C LIG 1 8.192 0.366 0.683 0.00 0.00 +0.119 A ATOM 31 C LIG 1 8.105 0.721 -0.650 0.00 0.00 +0.162 A ATOM 32 N LIG 1 6.768 0.875 -0.988 0.00 0.00 -0.224 NA BRANCH 31 33 ATOM 33 C LIG 1 9.213 0.937 -1.638 0.00 0.00 +0.436 C ATOM 34 F LIG 1 10.439 0.840 -1.051 0.00 0.00 -0.164 F ATOM 35 F LIG 1 9.197 0.022 -2.643 0.00 0.00 -0.164 F ATOM 36 F LIG 1 9.164 2.166 -2.216 0.00 0.00 -0.164 F ENDBRANCH 31 33 ENDBRANCH 24 27 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 8