REMARK Name = BDB034378 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.310 -1.502 0.819 0.00 0.00 +0.130 A ATOM 2 C LIG 1 -3.539 -1.869 1.920 0.00 0.00 +0.074 A ATOM 3 C LIG 1 -2.244 -1.400 2.085 0.00 0.00 +0.076 A ATOM 4 C LIG 1 -1.685 -0.540 1.107 0.00 0.00 +0.021 A ATOM 5 C LIG 1 -0.359 -0.056 1.320 0.00 0.00 +0.038 A ATOM 6 C LIG 1 0.334 -0.524 2.438 0.00 0.00 +0.043 A ATOM 7 C LIG 1 -0.308 -1.367 3.325 0.00 0.00 +0.113 A ATOM 8 C LIG 1 -2.471 -0.216 -0.028 0.00 0.00 +0.015 A ATOM 9 N LIG 1 -1.575 -1.796 3.176 0.00 0.00 -0.255 NA ATOM 10 C LIG 1 -3.774 -0.693 -0.173 0.00 0.00 +0.047 A ENDROOT BRANCH 5 11 ATOM 11 N LIG 1 0.248 0.778 0.358 0.00 0.00 -0.343 N ATOM 12 H LIG 1 -0.434 1.433 -0.019 0.00 0.00 +0.146 HD BRANCH 11 13 ATOM 13 C LIG 1 1.530 1.423 0.630 0.00 0.00 +0.103 C BRANCH 13 14 ATOM 14 C LIG 1 1.974 2.246 -0.582 0.00 0.00 +0.034 C BRANCH 14 15 ATOM 15 C LIG 1 2.302 1.418 -1.834 0.00 0.00 +0.083 C BRANCH 15 16 ATOM 16 N LIG 1 3.369 0.425 -1.706 0.00 0.00 -0.312 NA ATOM 17 H LIG 1 3.138 -0.248 -0.976 0.00 0.00 +0.122 HD BRANCH 16 18 ATOM 18 C LIG 1 4.680 1.018 -1.419 0.00 0.00 +0.120 C BRANCH 18 19 ATOM 19 C LIG 1 5.799 -0.000 -1.407 0.00 0.00 +0.011 A ATOM 20 C LIG 1 6.940 0.205 -0.620 0.00 0.00 +0.163 A ATOM 21 C LIG 1 8.018 -0.697 -0.616 0.00 0.00 +0.162 A ATOM 22 C LIG 1 7.958 -1.828 -1.429 0.00 0.00 +0.049 A ATOM 23 C LIG 1 6.837 -2.045 -2.235 0.00 0.00 +0.004 A ATOM 24 C LIG 1 5.775 -1.136 -2.233 0.00 0.00 +0.009 A BRANCH 20 25 ATOM 25 O LIG 1 7.020 1.325 0.172 0.00 0.00 -0.503 OA ATOM 26 H LIG 1 7.891 1.256 0.611 0.00 0.00 +0.292 HD ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O LIG 1 9.051 -0.357 0.223 0.00 0.00 -0.491 OA ATOM 28 C LIG 1 10.182 -1.221 0.221 0.00 0.00 +0.277 C ENDBRANCH 21 27 ENDBRANCH 18 19 ENDBRANCH 16 18 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 11 13 ENDBRANCH 5 11 BRANCH 1 29 ATOM 29 O LIG 1 -5.577 -2.027 0.716 0.00 0.00 -0.456 OA BRANCH 29 33 ATOM 30 C LIG 1 -8.814 0.582 0.305 0.00 0.00 +0.120 A ATOM 31 C LIG 1 -8.708 -0.570 -0.479 0.00 0.00 +0.049 A ATOM 32 C LIG 1 -7.611 -1.424 -0.327 0.00 0.00 +0.050 A ATOM 33 C LIG 1 -6.611 -1.124 0.598 0.00 0.00 +0.129 A ATOM 34 C LIG 1 -6.723 0.012 1.402 0.00 0.00 +0.050 A ATOM 35 C LIG 1 -7.819 0.863 1.247 0.00 0.00 +0.049 A BRANCH 30 37 ATOM 36 C LIG 1 -10.833 1.294 -0.730 0.00 0.00 +0.277 C ATOM 37 O LIG 1 -9.830 1.496 0.258 0.00 0.00 -0.495 OA ENDBRANCH 30 37 ENDBRANCH 29 33 ENDBRANCH 1 29 TORSDOF 12