REMARK Name = BDB049170 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.555 -0.844 0.573 0.00 0.00 +0.033 A ATOM 2 C LIG 1 1.048 -1.198 1.830 0.00 0.00 +0.024 A ATOM 3 C LIG 1 2.428 -1.294 2.050 0.00 0.00 +0.015 A ATOM 4 C LIG 1 3.332 -1.026 1.018 0.00 0.00 +0.037 A ATOM 5 C LIG 1 2.844 -0.687 -0.248 0.00 0.00 +0.015 A ATOM 6 C LIG 1 1.464 -0.594 -0.464 0.00 0.00 +0.024 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -1.891 -0.906 1.122 0.00 0.00 +0.218 C ATOM 8 N LIG 1 -0.817 -0.728 0.266 0.00 0.00 -0.285 N ATOM 9 H LIG 1 -1.036 -0.470 -0.688 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 -1.841 -1.203 2.309 0.00 0.00 -0.275 OA BRANCH 7 11 ATOM 11 C LIG 1 -3.213 -0.715 0.401 0.00 0.00 +0.104 C BRANCH 11 12 ATOM 12 C LIG 1 -4.397 -0.748 1.359 0.00 0.00 +0.083 C BRANCH 12 20 ATOM 13 C LIG 1 -7.171 2.835 -0.951 0.00 0.00 +0.046 C ATOM 14 C LIG 1 -7.863 1.522 -1.186 0.00 0.00 -0.024 A ATOM 15 C LIG 1 -7.333 0.330 -0.660 0.00 0.00 +0.081 A ATOM 16 C LIG 1 -8.012 -0.871 -0.900 0.00 0.00 +0.065 A ATOM 17 C LIG 1 -7.438 -2.105 -0.338 0.00 0.00 +0.259 A ATOM 18 N LIG 1 -6.277 -1.949 0.373 0.00 0.00 -0.310 N ATOM 19 H LIG 1 -5.896 -2.794 0.776 0.00 0.00 +0.170 HD ATOM 20 C LIG 1 -5.680 -0.736 0.571 0.00 0.00 +0.111 A ATOM 21 O LIG 1 -7.959 -3.203 -0.496 0.00 0.00 -0.267 OA ATOM 22 C LIG 1 -9.195 -0.910 -1.644 0.00 0.00 +0.015 A ATOM 23 C LIG 1 -9.714 0.273 -2.162 0.00 0.00 +0.001 A ATOM 24 N LIG 1 -6.139 0.372 0.088 0.00 0.00 -0.233 NA ATOM 25 C LIG 1 -9.053 1.481 -1.934 0.00 0.00 +0.005 A ENDBRANCH 12 20 ENDBRANCH 11 12 ENDBRANCH 7 11 ENDBRANCH 1 8 BRANCH 4 26 ATOM 26 C LIG 1 4.793 -1.145 1.298 0.00 0.00 +0.248 C ATOM 27 N LIG 1 5.593 -0.278 0.589 0.00 0.00 -0.280 N ATOM 28 H LIG 1 5.160 0.440 0.012 0.00 0.00 +0.155 HD ATOM 29 O LIG 1 5.163 -1.964 2.131 0.00 0.00 -0.270 OA BRANCH 27 30 ATOM 30 C LIG 1 7.005 -0.166 0.606 0.00 0.00 +0.060 A ATOM 31 C LIG 1 7.545 0.863 -0.185 0.00 0.00 +0.092 A ATOM 32 C LIG 1 8.948 1.024 -0.209 0.00 0.00 +0.002 A ATOM 33 C LIG 1 9.484 2.052 -0.996 0.00 0.00 +0.011 A ATOM 34 C LIG 1 8.640 2.880 -1.725 0.00 0.00 +0.020 A ATOM 35 C LIG 1 7.281 2.650 -1.646 0.00 0.00 +0.111 A ATOM 36 C LIG 1 9.774 0.171 0.540 0.00 0.00 +0.010 A ATOM 37 C LIG 1 9.218 -0.844 1.312 0.00 0.00 +0.003 A ATOM 38 N LIG 1 6.723 1.670 -0.902 0.00 0.00 -0.253 NA ATOM 39 C LIG 1 7.835 -1.014 1.345 0.00 0.00 +0.025 A ENDBRANCH 27 30 ENDBRANCH 4 26 TORSDOF 6