REMARK Name = BDB064539 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.457 1.209 0.099 0.00 0.00 +0.131 A ATOM 2 N LIG 1 -2.191 1.633 0.207 0.00 0.00 -0.199 NA ATOM 3 C LIG 1 -1.211 0.722 0.162 0.00 0.00 +0.223 A ATOM 4 N LIG 1 -1.430 -0.589 0.007 0.00 0.00 -0.199 NA ATOM 5 C LIG 1 -2.694 -1.024 -0.104 0.00 0.00 +0.128 A ATOM 6 C LIG 1 -3.746 -0.130 -0.073 0.00 0.00 +0.087 A ENDROOT BRANCH 5 7 ATOM 7 N LIG 1 -2.942 -2.396 -0.288 0.00 0.00 -0.313 N ATOM 8 C LIG 1 -3.933 -2.973 0.647 0.00 0.00 +0.121 C ATOM 9 C LIG 1 -3.740 -4.498 0.832 0.00 0.00 +0.100 C ATOM 10 N LIG 1 -3.389 -5.194 -0.418 0.00 0.00 -0.313 NA ATOM 11 H LIG 1 -4.112 -4.958 -1.101 0.00 0.00 +0.122 HD ATOM 12 C LIG 1 -2.119 -4.644 -0.947 0.00 0.00 +0.100 C ATOM 13 C LIG 1 -1.734 -3.217 -0.479 0.00 0.00 +0.121 C ENDBRANCH 5 7 BRANCH 1 14 ATOM 14 N LIG 1 -4.533 2.122 0.100 0.00 0.00 -0.283 N ATOM 15 H LIG 1 -5.338 1.756 0.592 0.00 0.00 +0.155 HD BRANCH 14 21 ATOM 16 C LIG 1 -3.330 6.883 -0.685 0.00 0.00 +0.065 C ATOM 17 C LIG 1 -3.935 5.581 -0.334 0.00 0.00 +0.035 A ATOM 18 N LIG 1 -5.163 5.474 0.253 0.00 0.00 -0.280 N ATOM 19 H LIG 1 -5.798 6.220 0.517 0.00 0.00 +0.189 HD ATOM 20 N LIG 1 -5.544 4.208 0.483 0.00 0.00 -0.158 NA ATOM 21 C LIG 1 -4.518 3.470 0.051 0.00 0.00 +0.146 A ATOM 22 C LIG 1 -3.493 4.285 -0.482 0.00 0.00 +0.068 A ENDBRANCH 14 21 ENDBRANCH 1 14 BRANCH 3 23 ATOM 23 N LIG 1 0.071 1.248 0.292 0.00 0.00 -0.284 N ATOM 24 H LIG 1 -0.004 2.248 0.416 0.00 0.00 +0.155 HD BRANCH 23 25 ATOM 25 C LIG 1 1.355 0.699 0.339 0.00 0.00 +0.034 A ATOM 26 C LIG 1 1.624 -0.667 0.240 0.00 0.00 +0.025 A ATOM 27 C LIG 1 2.938 -1.155 0.285 0.00 0.00 +0.025 A ATOM 28 C LIG 1 4.021 -0.283 0.426 0.00 0.00 +0.034 A ATOM 29 C LIG 1 3.768 1.082 0.521 0.00 0.00 +0.025 A ATOM 30 C LIG 1 2.451 1.562 0.476 0.00 0.00 +0.025 A BRANCH 28 31 ATOM 31 N LIG 1 5.309 -0.851 0.461 0.00 0.00 -0.285 N ATOM 32 H LIG 1 5.358 -1.857 0.377 0.00 0.00 +0.155 HD ATOM 33 C LIG 1 6.512 -0.195 0.597 0.00 0.00 +0.220 C ATOM 34 O LIG 1 6.709 1.002 0.737 0.00 0.00 -0.275 OA BRANCH 33 35 ATOM 35 C LIG 1 7.678 -1.124 0.595 0.00 0.00 +0.075 C ATOM 36 C LIG 1 8.811 -0.895 -0.378 0.00 0.00 +0.013 C ATOM 37 C LIG 1 7.916 -2.086 -0.547 0.00 0.00 +0.013 C ENDBRANCH 33 35 ENDBRANCH 28 31 ENDBRANCH 23 25 ENDBRANCH 3 23 TORSDOF 7