REMARK Name = BDB044623 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.630 -0.909 -2.609 0.00 0.00 +0.123 A ATOM 2 C LIG 1 -3.450 0.470 -2.492 0.00 0.00 +0.074 A ATOM 3 C LIG 1 -2.200 1.032 -2.253 0.00 0.00 +0.079 A ATOM 4 C LIG 1 -1.083 0.193 -2.136 0.00 0.00 +0.041 A ATOM 5 C LIG 1 0.148 0.840 -1.904 0.00 0.00 +0.134 A ATOM 6 N LIG 1 0.233 2.177 -1.776 0.00 0.00 -0.220 NA ATOM 7 C LIG 1 -0.902 2.868 -1.904 0.00 0.00 +0.223 A ATOM 8 C LIG 1 -1.263 -1.208 -2.244 0.00 0.00 +0.017 A ATOM 9 N LIG 1 -2.116 2.361 -2.143 0.00 0.00 -0.235 NA ATOM 10 C LIG 1 -2.526 -1.746 -2.480 0.00 0.00 +0.046 A ENDROOT BRANCH 5 11 ATOM 11 N LIG 1 1.329 0.052 -1.818 0.00 0.00 -0.299 N ATOM 12 H LIG 1 1.391 -0.532 -2.645 0.00 0.00 +0.154 HD BRANCH 11 13 ATOM 13 C LIG 1 2.611 0.428 -1.361 0.00 0.00 +0.032 A ATOM 14 C LIG 1 3.727 -0.308 -1.782 0.00 0.00 +0.025 A ATOM 15 C LIG 1 5.014 -0.019 -1.308 0.00 0.00 +0.025 A ATOM 16 C LIG 1 5.212 1.002 -0.382 0.00 0.00 +0.035 A ATOM 17 C LIG 1 4.100 1.713 0.077 0.00 0.00 +0.025 A ATOM 18 C LIG 1 2.815 1.420 -0.398 0.00 0.00 +0.025 A BRANCH 16 19 ATOM 19 N LIG 1 6.469 1.352 0.148 0.00 0.00 -0.269 N ATOM 20 H LIG 1 6.484 2.126 0.794 0.00 0.00 +0.156 HD ATOM 21 C LIG 1 7.706 0.874 -0.230 0.00 0.00 +0.304 C ATOM 22 N LIG 1 8.694 1.400 0.578 0.00 0.00 -0.295 N ATOM 23 H LIG 1 8.415 1.619 1.522 0.00 0.00 +0.151 HD ATOM 24 O LIG 1 7.944 0.111 -1.156 0.00 0.00 -0.252 OA BRANCH 22 25 ATOM 25 C LIG 1 10.072 0.982 0.425 0.00 0.00 +0.141 C BRANCH 25 26 ATOM 26 C LIG 1 10.427 -0.087 1.428 0.00 0.00 -0.030 A ATOM 27 C LIG 1 11.088 0.240 2.621 0.00 0.00 +0.005 A ATOM 28 C LIG 1 11.393 -0.752 3.555 0.00 0.00 +0.000 A ATOM 29 C LIG 1 11.034 -2.076 3.310 0.00 0.00 +0.000 A ATOM 30 C LIG 1 10.369 -2.411 2.132 0.00 0.00 +0.000 A ATOM 31 C LIG 1 10.065 -1.422 1.196 0.00 0.00 +0.005 A ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 16 19 ENDBRANCH 11 13 ENDBRANCH 5 11 BRANCH 1 32 ATOM 32 O LIG 1 -4.809 -1.560 -2.835 0.00 0.00 -0.492 OA BRANCH 32 33 ATOM 33 C LIG 1 -6.011 -0.801 -2.968 0.00 0.00 +0.230 C BRANCH 33 34 ATOM 34 C LIG 1 -6.631 -0.461 -1.611 0.00 0.00 +0.056 C BRANCH 34 35 ATOM 35 C LIG 1 -6.958 -1.728 -0.806 0.00 0.00 +0.088 C BRANCH 35 40 ATOM 36 C LIG 1 -8.602 1.311 2.703 0.00 0.00 +0.105 C ATOM 37 N LIG 1 -8.682 -0.134 2.903 0.00 0.00 -0.303 NA ATOM 38 C LIG 1 -9.529 -0.781 1.879 0.00 0.00 +0.099 C ATOM 39 C LIG 1 -8.892 -0.886 0.471 0.00 0.00 +0.100 C ATOM 40 N LIG 1 -7.572 -1.532 0.512 0.00 0.00 -0.300 NA ATOM 41 C LIG 1 -6.690 -0.867 1.483 0.00 0.00 +0.100 C ATOM 42 C LIG 1 -7.344 -0.761 2.883 0.00 0.00 +0.099 C ENDBRANCH 35 40 ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 1 32 TORSDOF 10