REMARK Name = BDB034532 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.313 -1.679 -1.065 0.00 0.00 +0.255 C ENDROOT BRANCH 1 3 ATOM 2 O LIG 1 -1.986 0.602 -1.549 0.00 0.00 -0.273 OA ATOM 3 C LIG 1 -1.070 -0.170 -1.257 0.00 0.00 +0.241 C ATOM 4 N LIG 1 0.229 0.287 -1.073 0.00 0.00 -0.297 N ATOM 5 C LIG 1 1.363 -0.568 -0.704 0.00 0.00 +0.127 C ATOM 6 C LIG 1 2.660 0.209 -0.407 0.00 0.00 +0.127 C ATOM 7 N LIG 1 2.945 1.148 -1.488 0.00 0.00 -0.297 N ATOM 8 C LIG 1 1.839 1.960 -2.011 0.00 0.00 +0.127 C ATOM 9 C LIG 1 0.523 1.713 -1.248 0.00 0.00 +0.127 C BRANCH 7 10 ATOM 10 C LIG 1 4.215 1.679 -1.573 0.00 0.00 +0.218 A ATOM 11 N LIG 1 5.183 1.188 -0.780 0.00 0.00 -0.222 NA ATOM 12 C LIG 1 6.423 1.707 -0.897 0.00 0.00 +0.128 A ATOM 13 C LIG 1 6.750 2.698 -1.786 0.00 0.00 +0.091 A ATOM 14 C LIG 1 5.706 3.146 -2.553 0.00 0.00 +0.128 A ATOM 15 N LIG 1 4.453 2.655 -2.466 0.00 0.00 -0.222 NA BRANCH 13 16 ATOM 16 C LIG 1 8.115 3.267 -1.881 0.00 0.00 +0.420 C ATOM 17 F LIG 1 8.311 4.297 -1.013 0.00 0.00 -0.166 F ATOM 18 F LIG 1 8.407 3.760 -3.116 0.00 0.00 -0.166 F ATOM 19 F LIG 1 9.091 2.358 -1.605 0.00 0.00 -0.166 F ENDBRANCH 13 16 ENDBRANCH 7 10 ENDBRANCH 1 3 BRANCH 1 20 ATOM 20 O LIG 1 -2.698 -1.992 -1.151 0.00 0.00 -0.369 OA BRANCH 20 21 ATOM 21 C LIG 1 -3.081 -3.231 -0.556 0.00 0.00 +0.182 C BRANCH 21 22 ATOM 22 C LIG 1 -3.043 -3.238 0.985 0.00 0.00 +0.101 C ATOM 23 N LIG 1 -3.803 -2.103 1.570 0.00 0.00 -0.309 N ATOM 24 C LIG 1 -4.589 -2.600 2.712 0.00 0.00 +0.107 C ATOM 25 C LIG 1 -4.093 -4.019 2.960 0.00 0.00 +0.021 C ATOM 26 C LIG 1 -3.714 -4.485 1.568 0.00 0.00 +0.026 C BRANCH 23 27 ATOM 27 C LIG 1 -3.135 -0.899 1.732 0.00 0.00 +0.143 A ATOM 28 N LIG 1 -1.984 -0.864 2.350 0.00 0.00 -0.156 NA ATOM 29 N LIG 1 -1.365 0.342 2.463 0.00 0.00 -0.241 N ATOM 30 H LIG 1 -0.484 0.357 2.965 0.00 0.00 +0.192 HD ATOM 31 C LIG 1 -1.820 1.535 1.962 0.00 0.00 +0.277 A ATOM 32 O LIG 1 -1.179 2.570 2.103 0.00 0.00 -0.266 OA ATOM 33 C LIG 1 -3.111 1.487 1.266 0.00 0.00 +0.124 A ATOM 34 C LIG 1 -3.761 0.321 1.170 0.00 0.00 +0.063 A BRANCH 33 35 ATOM 35 C LIG 1 -3.572 2.771 0.705 0.00 0.00 +0.423 C ATOM 36 F LIG 1 -3.831 3.686 1.679 0.00 0.00 -0.166 F ATOM 37 F LIG 1 -4.743 2.636 0.018 0.00 0.00 -0.166 F ATOM 38 F LIG 1 -2.692 3.342 -0.155 0.00 0.00 -0.166 F ENDBRANCH 33 35 ENDBRANCH 23 27 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 8