REMARK Name = BDB035218 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -6.274 -1.935 -2.776 0.00 0.00 +0.086 C ATOM 2 C LIG 1 -5.053 -1.113 -2.430 0.00 0.00 +0.111 A ATOM 3 N LIG 1 -5.035 -0.287 -1.325 0.00 0.00 -0.284 N ATOM 4 C LIG 1 -3.899 0.490 -1.050 0.00 0.00 +0.264 A ATOM 5 O LIG 1 -3.874 1.349 -0.166 0.00 0.00 -0.267 OA ATOM 6 C LIG 1 -2.706 0.304 -1.909 0.00 0.00 +0.086 A ATOM 7 C LIG 1 -2.871 -0.547 -3.001 0.00 0.00 +0.080 A ATOM 8 C LIG 1 -1.806 -0.749 -3.879 0.00 0.00 +0.029 A ATOM 9 C LIG 1 -0.584 -0.119 -3.664 0.00 0.00 +0.004 A ATOM 10 C LIG 1 -0.422 0.726 -2.564 0.00 0.00 +0.024 A ATOM 11 C LIG 1 -1.480 0.978 -1.675 0.00 0.00 +0.042 A ATOM 12 N LIG 1 -4.062 -1.229 -3.253 0.00 0.00 -0.234 NA ENDROOT BRANCH 3 13 ATOM 13 C LIG 1 -6.171 -0.092 -0.401 0.00 0.00 +0.178 C ATOM 14 C LIG 1 -6.492 -1.340 0.425 0.00 0.00 +0.242 C ATOM 15 O LIG 1 -5.725 -2.290 0.563 0.00 0.00 -0.273 OA ATOM 16 N LIG 1 -7.716 -1.332 1.056 0.00 0.00 -0.255 N ATOM 17 H LIG 1 -7.935 -2.155 1.602 0.00 0.00 +0.158 HD ATOM 18 C LIG 1 -8.752 -0.449 0.871 0.00 0.00 +0.219 C ATOM 19 O LIG 1 -9.849 -0.645 1.386 0.00 0.00 -0.275 OA ATOM 20 C LIG 1 -8.456 0.784 0.046 0.00 0.00 +0.099 C ATOM 21 C LIG 1 -7.430 0.493 -1.042 0.00 0.00 +0.044 C ENDBRANCH 3 13 BRANCH 11 22 ATOM 22 N LIG 1 -1.279 1.764 -0.522 0.00 0.00 -0.343 N ATOM 23 H LIG 1 -2.187 1.965 -0.080 0.00 0.00 +0.146 HD BRANCH 22 24 ATOM 24 C LIG 1 -0.445 2.957 -0.626 0.00 0.00 +0.101 C BRANCH 24 25 ATOM 25 C LIG 1 -0.502 3.756 0.677 0.00 0.00 +0.019 C BRANCH 25 26 ATOM 26 C LIG 1 -0.017 3.022 1.934 0.00 0.00 +0.002 C BRANCH 26 27 ATOM 27 C LIG 1 1.458 2.604 1.904 0.00 0.00 +0.000 C BRANCH 27 28 ATOM 28 C LIG 1 1.660 1.145 1.487 0.00 0.00 +0.001 C BRANCH 28 29 ATOM 29 C LIG 1 3.145 0.768 1.485 0.00 0.00 +0.015 C BRANCH 29 30 ATOM 30 C LIG 1 3.338 -0.700 1.070 0.00 0.00 +0.084 C BRANCH 30 31 ATOM 31 N LIG 1 4.728 -1.186 0.986 0.00 0.00 -0.301 NA ATOM 32 C LIG 1 5.405 -1.111 2.298 0.00 0.00 +0.099 C ATOM 33 C LIG 1 6.698 -1.947 2.454 0.00 0.00 +0.099 C ATOM 34 N LIG 1 7.764 -1.721 1.449 0.00 0.00 -0.304 NA ATOM 35 C LIG 1 8.989 -2.390 1.903 0.00 0.00 +0.104 C ATOM 36 C LIG 1 7.348 -2.280 0.153 0.00 0.00 +0.085 C ATOM 37 C LIG 1 6.563 -1.301 -0.716 0.00 0.00 +0.031 C ATOM 38 C LIG 1 5.502 -0.451 -0.024 0.00 0.00 +0.085 C ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 22 24 ENDBRANCH 11 22 TORSDOF 10