REMARK Name = BDB021083 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.620 1.112 0.939 0.00 0.00 -0.283 N ATOM 2 C LIG 1 -0.210 0.918 0.905 0.00 0.00 +0.038 A ATOM 3 C LIG 1 0.680 1.790 1.567 0.00 0.00 -0.025 A ATOM 4 C LIG 1 2.071 1.550 1.553 0.00 0.00 +0.014 A ATOM 5 C LIG 1 2.615 0.460 0.866 0.00 0.00 -0.015 A ATOM 6 C LIG 1 1.742 -0.398 0.198 0.00 0.00 +0.010 A ATOM 7 C LIG 1 0.177 2.986 2.329 0.00 0.00 +0.038 C ATOM 8 C LIG 1 -1.219 3.365 1.876 0.00 0.00 +0.024 C ATOM 9 C LIG 1 0.359 -0.171 0.222 0.00 0.00 +0.024 A ATOM 10 C LIG 1 -2.099 2.126 1.888 0.00 0.00 +0.113 C ENDROOT BRANCH 1 20 ATOM 11 C LIG 1 -7.855 -1.475 2.933 0.00 0.00 +0.109 C ATOM 12 C LIG 1 -6.559 -0.705 2.940 0.00 0.00 +0.213 C ATOM 13 N LIG 1 -5.740 -0.822 1.823 0.00 0.00 -0.294 N ATOM 14 C LIG 1 -4.434 -0.160 1.913 0.00 0.00 +0.164 C ATOM 15 C LIG 1 -3.755 -0.079 0.595 0.00 0.00 +0.078 A ATOM 16 N LIG 1 -4.267 -0.659 -0.539 0.00 0.00 -0.327 N ATOM 17 C LIG 1 -3.386 -0.470 -1.560 0.00 0.00 +0.115 A ATOM 18 N LIG 1 -2.330 0.189 -1.145 0.00 0.00 -0.217 NA ATOM 19 C LIG 1 -5.529 -1.361 -0.578 0.00 0.00 +0.142 C ATOM 20 C LIG 1 -2.540 0.443 0.189 0.00 0.00 +0.149 A ATOM 21 C LIG 1 -5.883 -1.875 0.812 0.00 0.00 +0.129 C ATOM 22 O LIG 1 -6.267 0.004 3.903 0.00 0.00 -0.276 OA BRANCH 17 23 ATOM 23 C LIG 1 -3.568 -0.950 -3.027 0.00 0.00 +0.055 C ATOM 24 C LIG 1 -3.295 -2.394 -3.361 0.00 0.00 +0.012 C ATOM 25 C LIG 1 -2.346 -1.327 -3.824 0.00 0.00 +0.012 C ENDBRANCH 17 23 ENDBRANCH 1 20 BRANCH 5 26 ATOM 26 C LIG 1 4.051 0.234 0.866 0.00 0.00 +0.020 A ATOM 27 C LIG 1 4.755 -0.425 -0.121 0.00 0.00 +0.117 A ATOM 28 N LIG 1 6.071 -0.397 0.254 0.00 0.00 -0.265 N ATOM 29 N LIG 1 6.276 0.228 1.433 0.00 0.00 -0.179 NA ATOM 30 C LIG 1 5.048 0.613 1.796 0.00 0.00 +0.142 A BRANCH 28 31 ATOM 31 C LIG 1 7.191 -0.990 -0.461 0.00 0.00 +0.198 C BRANCH 31 32 ATOM 32 C LIG 1 7.627 -0.123 -1.612 0.00 0.00 +0.063 A ATOM 33 N LIG 1 7.471 -0.633 -2.863 0.00 0.00 -0.258 NA ATOM 34 C LIG 1 7.862 0.139 -3.902 0.00 0.00 +0.111 A ATOM 35 C LIG 1 8.412 1.401 -3.762 0.00 0.00 +0.020 A ATOM 36 C LIG 1 8.572 1.908 -2.479 0.00 0.00 +0.003 A ATOM 37 C LIG 1 8.177 1.139 -1.387 0.00 0.00 +0.025 A ENDBRANCH 31 32 ENDBRANCH 28 31 ENDBRANCH 5 26 TORSDOF 5