REMARK Name = BDB035298 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.895 1.191 -0.766 0.00 0.00 +0.031 A ATOM 2 N LIG 1 2.827 1.040 0.094 0.00 0.00 -0.353 N ATOM 3 H LIG 1 2.888 0.644 1.026 0.00 0.00 +0.166 HD ATOM 4 C LIG 1 1.679 1.453 -0.525 0.00 0.00 +0.114 A ATOM 5 C LIG 1 2.020 1.882 -1.787 0.00 0.00 +0.024 A ATOM 6 C LIG 1 0.985 2.365 -2.633 0.00 0.00 +0.078 A ATOM 7 C LIG 1 -0.285 2.380 -2.174 0.00 0.00 +0.114 A ATOM 8 N LIG 1 -0.658 1.938 -0.882 0.00 0.00 -0.280 N ATOM 9 C LIG 1 0.342 1.456 0.028 0.00 0.00 +0.280 A ATOM 10 O LIG 1 0.147 1.108 1.189 0.00 0.00 -0.265 OA ATOM 11 C LIG 1 3.411 1.721 -1.951 0.00 0.00 +0.034 A ENDROOT BRANCH 8 12 ATOM 12 C LIG 1 -2.040 1.981 -0.461 0.00 0.00 +0.068 A ATOM 13 C LIG 1 -2.574 1.066 0.455 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -3.925 1.114 0.831 0.00 0.00 +0.003 A ATOM 15 C LIG 1 -4.705 2.115 0.258 0.00 0.00 +0.119 A ATOM 16 N LIG 1 -4.245 3.026 -0.626 0.00 0.00 -0.261 NA ATOM 17 C LIG 1 -2.935 2.930 -0.962 0.00 0.00 +0.137 A BRANCH 14 18 ATOM 18 C LIG 1 -4.486 0.149 1.784 0.00 0.00 -0.004 A ATOM 19 C LIG 1 -5.330 -0.913 1.394 0.00 0.00 +0.047 A ATOM 20 C LIG 1 -5.854 -1.804 2.341 0.00 0.00 +0.052 A ATOM 21 C LIG 1 -5.544 -1.630 3.682 0.00 0.00 +0.124 A ATOM 22 F LIG 1 -6.047 -2.478 4.588 0.00 0.00 -0.205 F ATOM 23 C LIG 1 -4.717 -0.595 4.097 0.00 0.00 +0.039 A ATOM 24 C LIG 1 -4.188 0.288 3.153 0.00 0.00 +0.012 A BRANCH 19 25 ATOM 25 C LIG 1 -5.641 -1.156 -0.034 0.00 0.00 +0.247 C ATOM 26 N LIG 1 -6.974 -1.185 -0.375 0.00 0.00 -0.292 N ATOM 27 C LIG 1 -7.494 -1.027 -1.732 0.00 0.00 +0.146 C ATOM 28 C LIG 1 -8.857 -0.736 -1.085 0.00 0.00 +0.200 C ATOM 29 F LIG 1 -9.549 0.316 -1.583 0.00 0.00 -0.242 F ATOM 30 C LIG 1 -8.100 -0.484 0.231 0.00 0.00 +0.146 C ATOM 31 O LIG 1 -4.732 -1.339 -0.834 0.00 0.00 -0.270 OA ENDBRANCH 19 25 ENDBRANCH 14 18 ENDBRANCH 8 12 BRANCH 6 32 ATOM 32 C LIG 1 1.283 2.808 -3.954 0.00 0.00 +0.101 C ATOM 33 N LIG 1 1.509 3.178 -5.031 0.00 0.00 -0.191 NA ENDBRANCH 6 32 BRANCH 1 34 ATOM 34 C LIG 1 5.283 0.819 -0.350 0.00 0.00 +0.137 C BRANCH 34 38 ATOM 35 C LIG 1 9.005 -1.129 1.196 0.00 0.00 +0.009 C ATOM 36 C LIG 1 7.766 -0.927 0.324 0.00 0.00 +0.000 C ATOM 37 C LIG 1 6.542 -0.585 1.190 0.00 0.00 +0.088 C ATOM 38 N LIG 1 5.290 -0.426 0.431 0.00 0.00 -0.296 NA ATOM 39 C LIG 1 5.030 -1.623 -0.387 0.00 0.00 +0.085 C ATOM 40 C LIG 1 6.189 -2.030 -1.301 0.00 0.00 +0.016 C ATOM 41 C LIG 1 7.490 -2.177 -0.519 0.00 0.00 +0.006 C ENDBRANCH 34 38 ENDBRANCH 1 34 TORSDOF 6