REMARK Name = BDB060004 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.459 -1.825 -0.395 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.226 -3.329 -0.404 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.633 -4.094 -1.509 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.419 -5.473 -1.538 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.806 -6.107 -0.460 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.414 -5.365 0.652 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.627 -3.986 0.685 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 0.866 -1.168 -0.809 0.00 0.00 -0.267 N ATOM 9 H LIG 1 0.760 -1.810 -1.581 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -0.188 -1.057 0.085 0.00 0.00 +0.240 C ATOM 11 O LIG 1 -0.172 -0.440 1.148 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 4.576 0.652 -0.434 0.00 0.00 +0.096 A ATOM 13 N LIG 1 3.599 0.921 0.456 0.00 0.00 -0.147 NA ATOM 14 N LIG 1 2.362 0.317 0.341 0.00 0.00 -0.133 NA ATOM 15 C LIG 1 2.112 -0.547 -0.656 0.00 0.00 +0.147 A ATOM 16 C LIG 1 3.097 -0.839 -1.588 0.00 0.00 +0.048 A ATOM 17 C LIG 1 4.350 -0.232 -1.476 0.00 0.00 +0.033 A BRANCH 12 22 ATOM 18 C LIG 1 8.152 3.545 1.421 0.00 0.00 +0.172 C ATOM 19 N LIG 1 7.413 2.617 0.600 0.00 0.00 -0.274 N ATOM 20 N LIG 1 8.008 2.057 -0.470 0.00 0.00 -0.179 NA ATOM 21 C LIG 1 7.054 1.273 -0.981 0.00 0.00 +0.144 A ATOM 22 C LIG 1 5.847 1.324 -0.247 0.00 0.00 +0.040 A ATOM 23 C LIG 1 6.124 2.212 0.775 0.00 0.00 +0.118 A ENDBRANCH 12 22 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 24 ATOM 24 N LIG 1 -2.628 -1.502 0.453 0.00 0.00 -0.302 NA ATOM 25 H LIG 1 -2.290 -1.482 1.420 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -3.187 -0.184 0.130 0.00 0.00 +0.086 C BRANCH 26 27 ATOM 27 C LIG 1 -4.315 0.170 1.108 0.00 0.00 +0.050 C BRANCH 27 28 ATOM 28 C LIG 1 -4.920 1.519 0.796 0.00 0.00 -0.046 A ATOM 29 C LIG 1 -4.314 2.692 1.266 0.00 0.00 +0.005 A ATOM 30 C LIG 1 -4.860 3.942 0.965 0.00 0.00 +0.019 A ATOM 31 C LIG 1 -6.018 4.031 0.187 0.00 0.00 +0.052 A ATOM 32 C LIG 1 -6.625 2.864 -0.289 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -6.077 1.615 0.013 0.00 0.00 +0.005 A BRANCH 31 34 ATOM 34 C LIG 1 -6.580 5.312 -0.125 0.00 0.00 +0.099 C ATOM 35 N LIG 1 -7.036 6.349 -0.381 0.00 0.00 -0.191 NA ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9