REMARK Name = BDB044635 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.953 0.587 0.335 0.00 0.00 +0.118 C ATOM 2 C LIG 1 -3.066 0.247 1.429 0.00 0.00 +0.042 C ATOM 3 C LIG 1 -1.782 -0.072 1.198 0.00 0.00 -0.010 C ATOM 4 C LIG 1 -1.245 -0.073 -0.219 0.00 0.00 +0.104 C ATOM 5 C LIG 1 -1.986 0.879 -1.170 0.00 0.00 +0.147 C ATOM 6 N LIG 1 -1.506 2.254 -1.083 0.00 0.00 -0.264 NA ATOM 7 C LIG 1 -0.281 2.442 -0.760 0.00 0.00 +0.217 C ATOM 8 N LIG 1 0.638 1.471 -0.499 0.00 0.00 -0.225 NA ATOM 9 C LIG 1 0.245 0.266 -0.237 0.00 0.00 +0.110 C ATOM 10 C LIG 1 -3.464 0.928 -0.866 0.00 0.00 +0.046 C ENDROOT BRANCH 9 11 ATOM 11 N LIG 1 1.086 -0.793 0.065 0.00 0.00 -0.302 N ATOM 12 H LIG 1 0.638 -1.671 0.296 0.00 0.00 +0.153 HD BRANCH 11 13 ATOM 13 C LIG 1 2.491 -0.860 0.094 0.00 0.00 +0.032 A ATOM 14 C LIG 1 3.091 -2.053 0.529 0.00 0.00 +0.025 A ATOM 15 C LIG 1 4.484 -2.194 0.590 0.00 0.00 +0.025 A ATOM 16 C LIG 1 5.322 -1.142 0.215 0.00 0.00 +0.035 A ATOM 17 C LIG 1 4.740 0.050 -0.207 0.00 0.00 +0.025 A ATOM 18 C LIG 1 3.343 0.186 -0.266 0.00 0.00 +0.025 A BRANCH 16 19 ATOM 19 N LIG 1 6.711 -1.353 0.305 0.00 0.00 -0.269 N ATOM 20 H LIG 1 7.011 -2.273 0.588 0.00 0.00 +0.156 HD ATOM 21 C LIG 1 7.718 -0.524 -0.141 0.00 0.00 +0.304 C ATOM 22 N LIG 1 8.955 -1.043 0.199 0.00 0.00 -0.296 N ATOM 23 H LIG 1 8.970 -1.573 1.058 0.00 0.00 +0.151 HD ATOM 24 O LIG 1 7.589 0.518 -0.769 0.00 0.00 -0.253 OA BRANCH 22 25 ATOM 25 C LIG 1 10.178 -0.316 -0.123 0.00 0.00 +0.074 C ATOM 26 C LIG 1 11.364 -1.285 -0.169 0.00 0.00 +0.022 C ATOM 27 C LIG 1 12.675 -0.558 -0.454 0.00 0.00 +0.002 C ATOM 28 C LIG 1 12.923 0.567 0.545 0.00 0.00 +0.000 C ATOM 29 C LIG 1 11.746 1.536 0.607 0.00 0.00 +0.002 C ATOM 30 C LIG 1 10.430 0.814 0.886 0.00 0.00 +0.022 C ENDBRANCH 22 25 ENDBRANCH 16 19 ENDBRANCH 11 13 ENDBRANCH 9 11 BRANCH 1 31 ATOM 31 O LIG 1 -5.291 0.711 0.629 0.00 0.00 -0.492 OA BRANCH 31 32 ATOM 32 C LIG 1 -5.944 -0.544 0.862 0.00 0.00 +0.230 C BRANCH 32 33 ATOM 33 C LIG 1 -6.484 -1.142 -0.438 0.00 0.00 +0.056 C BRANCH 33 34 ATOM 34 C LIG 1 -7.541 -0.260 -1.117 0.00 0.00 +0.088 C BRANCH 34 37 ATOM 35 C LIG 1 -9.027 2.350 0.061 0.00 0.00 +0.024 C ATOM 36 C LIG 1 -9.497 1.148 -0.767 0.00 0.00 +0.054 C ATOM 37 N LIG 1 -8.751 -0.045 -0.305 0.00 0.00 -0.300 NA ATOM 38 C LIG 1 -9.593 -1.240 -0.216 0.00 0.00 +0.084 C ATOM 39 C LIG 1 -10.723 -1.022 0.793 0.00 0.00 +0.015 C ATOM 40 C LIG 1 -11.473 0.293 0.588 0.00 0.00 +0.003 C ATOM 41 C LIG 1 -11.030 1.000 -0.685 0.00 0.00 +0.018 C ENDBRANCH 34 37 ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 1 31 TORSDOF 9