REMARK Name = BDB027193 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.323 0.076 -0.647 0.00 0.00 -0.003 A ATOM 2 C LIG 1 0.506 1.235 0.120 0.00 0.00 +0.053 A ATOM 3 C LIG 1 1.680 1.295 0.879 0.00 0.00 +0.134 A ATOM 4 N LIG 1 2.628 0.330 0.936 0.00 0.00 -0.253 NA ATOM 5 C LIG 1 2.426 -0.796 0.212 0.00 0.00 +0.071 A ATOM 6 C LIG 1 1.296 -0.941 -0.591 0.00 0.00 +0.035 A ENDROOT BRANCH 2 7 ATOM 7 N LIG 1 -0.450 2.275 0.080 0.00 0.00 -0.327 N ATOM 8 C LIG 1 -0.005 3.361 -0.837 0.00 0.00 +0.126 C ATOM 9 C LIG 1 -0.814 4.668 -0.627 0.00 0.00 +0.102 C ATOM 10 C LIG 1 -2.197 4.316 -0.063 0.00 0.00 +0.186 C ATOM 11 F LIG 1 -2.929 5.458 0.085 0.00 0.00 -0.244 F ATOM 12 C LIG 1 -2.120 3.602 1.283 0.00 0.00 +0.057 C ATOM 13 C LIG 1 -0.852 2.760 1.414 0.00 0.00 +0.108 C BRANCH 9 14 ATOM 14 N LIG 1 -0.105 5.621 0.261 0.00 0.00 -0.324 NA ATOM 15 H LIG 1 -0.736 6.404 0.452 0.00 0.00 +0.119 HD ATOM 16 H LIG 1 0.695 6.018 -0.231 0.00 0.00 +0.119 HD ENDBRANCH 9 14 ENDBRANCH 2 7 BRANCH 5 17 ATOM 17 C LIG 1 3.472 -1.834 0.329 0.00 0.00 +0.003 A ATOM 18 C LIG 1 3.183 -3.204 0.197 0.00 0.00 +0.048 A ATOM 19 C LIG 1 4.193 -4.158 0.309 0.00 0.00 +0.124 A ATOM 20 F LIG 1 3.886 -5.455 0.176 0.00 0.00 -0.205 F ATOM 21 C LIG 1 5.508 -3.791 0.558 0.00 0.00 +0.038 A ATOM 22 C LIG 1 5.820 -2.444 0.704 0.00 0.00 +0.003 A ATOM 23 C LIG 1 4.811 -1.480 0.592 0.00 0.00 +0.010 A ENDBRANCH 5 17 BRANCH 1 24 ATOM 24 C LIG 1 -0.909 -0.145 -1.488 0.00 0.00 +0.161 C BRANCH 24 29 ATOM 25 C LIG 1 -3.567 -3.826 0.194 0.00 0.00 +0.147 A ATOM 26 C LIG 1 -3.180 -2.486 0.027 0.00 0.00 +0.147 A ATOM 27 N LIG 1 -3.689 -1.300 0.518 0.00 0.00 -0.231 NA ATOM 28 C LIG 1 -2.906 -0.368 0.018 0.00 0.00 +0.202 A ATOM 29 N LIG 1 -1.912 -0.897 -0.762 0.00 0.00 -0.310 N ATOM 30 C LIG 1 -2.070 -2.255 -0.770 0.00 0.00 +0.166 A ATOM 31 N LIG 1 -1.318 -3.171 -1.404 0.00 0.00 -0.216 NA ATOM 32 C LIG 1 -1.778 -4.416 -1.163 0.00 0.00 +0.225 A ATOM 33 N LIG 1 -2.834 -4.791 -0.408 0.00 0.00 -0.219 NA BRANCH 25 34 ATOM 34 N LIG 1 -4.657 -4.213 0.964 0.00 0.00 -0.341 N ATOM 35 H LIG 1 -4.575 -5.170 1.282 0.00 0.00 +0.144 HD ATOM 36 H LIG 1 -4.936 -3.513 1.641 0.00 0.00 +0.144 HD ENDBRANCH 25 34 ENDBRANCH 24 29 ENDBRANCH 1 24 TORSDOF 6