REMARK Name = BDB045186 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.757 -0.316 0.672 0.00 0.00 -0.039 A ATOM 2 C LIG 1 0.463 0.230 0.812 0.00 0.00 +0.049 A ATOM 3 C LIG 1 -0.469 -0.330 1.688 0.00 0.00 +0.121 A ATOM 4 C LIG 1 -0.112 -1.454 2.430 0.00 0.00 +0.045 A ATOM 5 C LIG 1 1.156 -2.016 2.297 0.00 0.00 +0.004 A ATOM 6 C LIG 1 2.083 -1.452 1.421 0.00 0.00 +0.004 A ENDROOT BRANCH 1 10 ATOM 7 C LIG 1 6.117 0.605 -1.704 0.00 0.00 +0.403 C ATOM 8 N LIG 1 4.890 0.756 -1.113 0.00 0.00 -0.267 N ATOM 9 C LIG 1 4.080 -0.320 -0.566 0.00 0.00 +0.119 C ATOM 10 C LIG 1 2.716 0.333 -0.301 0.00 0.00 +0.042 C ATOM 11 C LIG 1 3.079 1.817 -0.024 0.00 0.00 +0.026 C ATOM 12 C LIG 1 4.248 2.048 -0.989 0.00 0.00 +0.115 C ATOM 13 O LIG 1 6.752 1.524 -2.206 0.00 0.00 -0.226 OA BRANCH 7 14 ATOM 14 O LIG 1 6.537 -0.688 -1.669 0.00 0.00 -0.451 OA BRANCH 14 16 ATOM 15 C LIG 1 8.155 -2.378 -2.147 0.00 0.00 +0.048 C ATOM 16 C LIG 1 7.820 -0.904 -2.267 0.00 0.00 +0.230 C ENDBRANCH 14 16 ENDBRANCH 7 14 BRANCH 11 17 ATOM 17 C LIG 1 3.416 2.189 1.428 0.00 0.00 +0.126 C BRANCH 17 18 ATOM 18 C LIG 1 4.705 1.643 1.976 0.00 0.00 +0.305 C ATOM 19 O LIG 1 5.806 2.153 1.864 0.00 0.00 -0.251 OA BRANCH 18 20 ATOM 20 O LIG 1 4.553 0.486 2.644 0.00 0.00 -0.481 OA ATOM 21 H LIG 1 5.458 0.275 2.955 0.00 0.00 +0.295 HD ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 11 17 ENDBRANCH 1 10 BRANCH 3 22 ATOM 22 O LIG 1 -1.746 0.104 1.904 0.00 0.00 -0.492 OA BRANCH 22 23 ATOM 23 C LIG 1 -2.216 1.273 1.226 0.00 0.00 +0.235 C BRANCH 23 24 ATOM 24 C LIG 1 -2.738 0.949 -0.174 0.00 0.00 +0.100 C BRANCH 24 25 ATOM 25 C LIG 1 -4.034 0.219 -0.142 0.00 0.00 +0.086 A ATOM 26 C LIG 1 -4.283 -1.128 0.014 0.00 0.00 +0.126 A ATOM 27 C LIG 1 -3.450 -2.326 0.212 0.00 0.00 +0.088 C ATOM 28 O LIG 1 -5.637 -1.310 -0.021 0.00 0.00 -0.440 OA ATOM 29 C LIG 1 -6.147 -0.050 -0.202 0.00 0.00 +0.228 A ATOM 30 N LIG 1 -5.226 0.894 -0.282 0.00 0.00 -0.214 NA BRANCH 29 31 ATOM 31 C LIG 1 -7.600 0.070 -0.280 0.00 0.00 +0.037 A ATOM 32 C LIG 1 -8.446 -1.045 -0.171 0.00 0.00 +0.013 A ATOM 33 C LIG 1 -9.834 -0.899 -0.248 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -10.395 0.362 -0.436 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -9.570 1.479 -0.547 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -8.182 1.333 -0.469 0.00 0.00 +0.013 A ENDBRANCH 29 31 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 3 22 TORSDOF 11