REMARK Name = BDB010468 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.333 -1.914 -0.739 0.00 0.00 +0.150 A ATOM 2 C LIG 1 -0.137 -1.639 -0.091 0.00 0.00 +0.129 A ATOM 3 C LIG 1 0.184 -2.331 1.059 0.00 0.00 +0.186 A ATOM 4 N LIG 1 1.392 -1.953 1.562 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 1.847 -1.049 0.726 0.00 0.00 +0.201 A ATOM 6 N LIG 1 -0.602 -3.259 1.628 0.00 0.00 -0.193 NA ATOM 7 C LIG 1 -1.738 -3.474 0.964 0.00 0.00 +0.219 A ATOM 8 N LIG 1 0.906 -0.755 -0.246 0.00 0.00 -0.307 N ATOM 9 N LIG 1 -2.123 -2.841 -0.152 0.00 0.00 -0.197 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 3.056 -0.422 0.776 0.00 0.00 -0.289 N ATOM 11 C LIG 1 3.656 -0.308 2.144 0.00 0.00 +0.132 C ATOM 12 C LIG 1 4.465 -1.584 2.519 0.00 0.00 +0.187 C ATOM 13 O LIG 1 5.413 -1.983 1.509 0.00 0.00 -0.376 OA ATOM 14 C LIG 1 4.747 -2.185 0.256 0.00 0.00 +0.179 C ATOM 15 C LIG 1 4.052 -0.899 -0.218 0.00 0.00 +0.136 C BRANCH 11 16 ATOM 16 C LIG 1 4.419 1.014 2.243 0.00 0.00 -0.025 A ATOM 17 C LIG 1 3.688 2.200 2.430 0.00 0.00 +0.005 A ATOM 18 C LIG 1 4.328 3.438 2.520 0.00 0.00 +0.000 A ATOM 19 C LIG 1 5.714 3.512 2.422 0.00 0.00 +0.000 A ATOM 20 C LIG 1 6.457 2.350 2.234 0.00 0.00 +0.000 A ATOM 21 C LIG 1 5.816 1.111 2.144 0.00 0.00 +0.005 A ENDBRANCH 11 16 ENDBRANCH 5 10 BRANCH 1 22 ATOM 22 N LIG 1 -1.716 -1.290 -1.926 0.00 0.00 -0.324 N ATOM 23 H LIG 1 -0.929 -1.224 -2.560 0.00 0.00 +0.148 HD BRANCH 22 25 ATOM 24 C LIG 1 -2.834 -1.474 -4.074 0.00 0.00 +0.028 C ATOM 25 C LIG 1 -2.946 -1.768 -2.574 0.00 0.00 +0.072 C BRANCH 25 26 ATOM 26 C LIG 1 -4.181 -1.106 -1.931 0.00 0.00 +0.009 C ATOM 27 C LIG 1 -4.435 0.412 -2.131 0.00 0.00 +0.005 C ATOM 28 C LIG 1 -5.542 0.062 -3.140 0.00 0.00 +0.001 C ATOM 29 C LIG 1 -5.581 -1.358 -2.550 0.00 0.00 +0.005 C ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 1 22 BRANCH 7 30 ATOM 30 N LIG 1 -2.637 -4.404 1.450 0.00 0.00 -0.303 N ATOM 31 H LIG 1 -3.563 -4.143 1.125 0.00 0.00 +0.149 HD BRANCH 30 32 ATOM 32 C LIG 1 -2.535 -4.801 2.848 0.00 0.00 +0.224 C BRANCH 32 33 ATOM 33 C LIG 1 -2.861 -3.678 3.827 0.00 0.00 +0.322 C ATOM 34 O LIG 1 -3.932 -3.576 4.410 0.00 0.00 -0.249 OA BRANCH 33 35 ATOM 35 O LIG 1 -1.858 -2.783 4.000 0.00 0.00 -0.480 OA ATOM 36 H LIG 1 -1.098 -2.949 3.391 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 30 32 ENDBRANCH 7 30 BRANCH 8 37 ATOM 37 C LIG 1 0.971 0.344 -1.195 0.00 0.00 +0.128 C BRANCH 37 38 ATOM 38 C LIG 1 0.013 1.509 -0.878 0.00 0.00 +0.009 C ATOM 39 C LIG 1 -0.122 2.428 -2.109 0.00 0.00 +0.005 C ATOM 40 C LIG 1 -0.307 3.907 -1.768 0.00 0.00 +0.003 C ATOM 41 C LIG 1 -1.133 4.144 -0.501 0.00 0.00 -0.014 C ATOM 42 C LIG 1 -2.600 3.759 -0.706 0.00 0.00 +0.007 C ATOM 43 C LIG 1 -0.527 3.417 0.713 0.00 0.00 +0.003 C ATOM 44 C LIG 1 0.458 2.301 0.356 0.00 0.00 +0.005 C ENDBRANCH 37 38 ENDBRANCH 8 37 TORSDOF 11