REMARK Name = BDB036099 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.160 2.644 -1.225 0.00 0.00 +0.186 A ATOM 2 C LIG 1 -3.389 2.305 -2.340 0.00 0.00 +0.167 A ATOM 3 N LIG 1 -3.795 2.591 -3.599 0.00 0.00 -0.217 NA ATOM 4 C LIG 1 -4.958 3.240 -3.734 0.00 0.00 +0.223 A ATOM 5 N LIG 1 -5.757 3.639 -2.739 0.00 0.00 -0.240 NA ATOM 6 C LIG 1 -5.341 3.311 -1.499 0.00 0.00 +0.162 A ENDROOT BRANCH 2 7 ATOM 7 N LIG 1 -2.156 1.624 -2.196 0.00 0.00 -0.311 N ATOM 8 C LIG 1 -1.236 1.398 -3.282 0.00 0.00 +0.115 C ATOM 9 C LIG 1 -0.147 1.181 -2.208 0.00 0.00 +0.004 C ATOM 10 C LIG 1 1.196 1.836 -2.518 0.00 0.00 +0.025 C ATOM 11 C LIG 1 2.126 1.688 -1.312 0.00 0.00 +0.085 C ATOM 12 N LIG 1 2.320 0.272 -0.951 0.00 0.00 -0.302 NA ATOM 13 C LIG 1 1.034 -0.372 -0.633 0.00 0.00 +0.085 C ATOM 14 C LIG 1 0.058 -0.283 -1.809 0.00 0.00 +0.025 C ATOM 15 C LIG 1 -1.097 2.006 -1.303 0.00 0.00 +0.115 C BRANCH 12 16 ATOM 16 C LIG 1 3.284 0.169 0.163 0.00 0.00 +0.088 C BRANCH 16 17 ATOM 17 C LIG 1 3.790 -1.266 0.437 0.00 0.00 +0.006 C ATOM 18 C LIG 1 4.789 -1.331 1.625 0.00 0.00 -0.006 C ATOM 19 C LIG 1 6.148 -0.708 1.242 0.00 0.00 +0.011 C ATOM 20 C LIG 1 6.780 -1.473 0.041 0.00 0.00 -0.019 C ATOM 21 C LIG 1 5.783 -2.571 -0.430 0.00 0.00 -0.004 C ATOM 22 C LIG 1 5.521 -3.565 0.719 0.00 0.00 +0.004 C ATOM 23 C LIG 1 8.154 -2.072 0.421 0.00 0.00 +0.081 C ATOM 24 C LIG 1 9.100 -0.927 0.162 0.00 0.00 +0.134 C ATOM 25 O LIG 1 10.257 -0.895 0.561 0.00 0.00 -0.297 OA ATOM 26 C LIG 1 8.460 0.169 -0.643 0.00 0.00 +0.075 C ATOM 27 C LIG 1 7.165 -0.497 -1.095 0.00 0.00 +0.015 C ATOM 28 C LIG 1 5.029 -2.815 1.963 0.00 0.00 +0.004 C ATOM 29 C LIG 1 4.435 -1.919 -0.806 0.00 0.00 +0.009 C ENDBRANCH 16 17 ENDBRANCH 12 16 ENDBRANCH 2 7 BRANCH 1 30 ATOM 30 O LIG 1 -3.705 2.293 0.023 0.00 0.00 -0.450 OA BRANCH 30 32 ATOM 31 C LIG 1 -5.490 1.687 1.544 0.00 0.00 +0.082 A ATOM 32 C LIG 1 -4.488 2.567 1.114 0.00 0.00 +0.141 A ATOM 33 C LIG 1 -4.202 3.714 1.859 0.00 0.00 +0.050 A ATOM 34 C LIG 1 -4.952 3.998 3.002 0.00 0.00 +0.042 A ATOM 35 C LIG 1 -5.972 3.133 3.394 0.00 0.00 +0.124 A ATOM 36 F LIG 1 -6.689 3.418 4.489 0.00 0.00 -0.205 F ATOM 37 C LIG 1 -6.255 1.979 2.675 0.00 0.00 +0.055 A BRANCH 31 39 ATOM 38 N LIG 1 -5.020 -0.662 0.912 0.00 0.00 -0.292 N ATOM 39 C LIG 1 -5.814 0.481 0.771 0.00 0.00 +0.251 C ATOM 40 O LIG 1 -6.792 0.578 0.035 0.00 0.00 -0.270 OA BRANCH 38 42 ATOM 41 C LIG 1 -5.058 -1.503 -1.440 0.00 0.00 +0.028 C ATOM 42 C LIG 1 -5.296 -1.825 0.038 0.00 0.00 +0.070 C ATOM 43 C LIG 1 -6.684 -2.428 0.269 0.00 0.00 +0.028 C ENDBRANCH 38 42 BRANCH 38 44 ATOM 44 C LIG 1 -3.938 -0.785 1.919 0.00 0.00 +0.070 C ATOM 45 C LIG 1 -2.575 -1.038 1.274 0.00 0.00 +0.028 C ATOM 46 C LIG 1 -4.268 -1.844 2.973 0.00 0.00 +0.028 C ENDBRANCH 38 44 ENDBRANCH 31 39 ENDBRANCH 30 32 ENDBRANCH 1 30 TORSDOF 8