REMARK Name = BDB028907 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.332 -4.503 1.863 0.00 0.00 +0.153 C ATOM 2 N LIG 1 2.824 -3.562 0.889 0.00 0.00 -0.302 N ATOM 3 C LIG 1 3.505 -2.347 0.742 0.00 0.00 +0.263 A ATOM 4 O LIG 1 4.512 -2.053 1.380 0.00 0.00 -0.267 OA ATOM 5 C LIG 1 2.907 -1.478 -0.252 0.00 0.00 +0.091 A ATOM 6 C LIG 1 3.200 -0.171 -0.732 0.00 0.00 +0.017 A ATOM 7 C LIG 1 2.242 0.115 -1.692 0.00 0.00 +0.097 A ATOM 8 N LIG 1 1.390 -0.957 -1.792 0.00 0.00 -0.322 N ATOM 9 C LIG 1 1.788 -1.931 -0.917 0.00 0.00 +0.149 A ATOM 10 N LIG 1 1.145 -3.112 -0.759 0.00 0.00 -0.219 NA ATOM 11 C LIG 1 1.700 -3.873 0.137 0.00 0.00 +0.204 A ENDROOT BRANCH 6 12 ATOM 12 C LIG 1 4.264 0.758 -0.380 0.00 0.00 +0.021 A ATOM 13 C LIG 1 3.990 2.102 -0.078 0.00 0.00 +0.147 A ATOM 14 F LIG 1 2.711 2.513 -0.084 0.00 0.00 -0.204 F ATOM 15 C LIG 1 5.016 2.997 0.260 0.00 0.00 +0.113 A ATOM 16 C LIG 1 6.337 2.520 0.298 0.00 0.00 +0.132 A ATOM 17 C LIG 1 6.622 1.185 -0.001 0.00 0.00 +0.047 A ATOM 18 C LIG 1 5.590 0.311 -0.343 0.00 0.00 +0.015 A BRANCH 15 19 ATOM 19 C LIG 1 4.647 4.413 0.548 0.00 0.00 +0.248 C ATOM 20 O LIG 1 3.596 4.917 0.174 0.00 0.00 -0.270 OA ATOM 21 N LIG 1 5.546 5.170 1.247 0.00 0.00 -0.325 N ATOM 22 H LIG 1 5.358 6.160 1.313 0.00 0.00 +0.145 HD ATOM 23 H LIG 1 6.502 4.845 1.353 0.00 0.00 +0.145 HD ENDBRANCH 15 19 BRANCH 16 24 ATOM 24 O LIG 1 7.381 3.350 0.622 0.00 0.00 -0.506 OA ATOM 25 H LIG 1 8.215 2.851 0.557 0.00 0.00 +0.292 HD ENDBRANCH 16 24 ENDBRANCH 6 12 BRANCH 8 26 ATOM 26 C LIG 1 0.273 -1.063 -2.714 0.00 0.00 +0.219 C BRANCH 26 27 ATOM 27 C LIG 1 -1.052 -0.692 -2.076 0.00 0.00 +0.237 C ATOM 28 N LIG 1 -1.440 -1.532 -1.045 0.00 0.00 -0.283 N ATOM 29 H LIG 1 -0.810 -2.307 -0.824 0.00 0.00 +0.155 HD ATOM 30 O LIG 1 -1.713 0.242 -2.525 0.00 0.00 -0.274 OA BRANCH 28 31 ATOM 31 C LIG 1 -2.614 -1.448 -0.251 0.00 0.00 +0.057 A ATOM 32 C LIG 1 -2.879 -2.458 0.675 0.00 0.00 +0.080 A ATOM 33 CL LIG 1 -1.844 -3.820 0.888 0.00 0.00 -0.080 Cl ATOM 34 C LIG 1 -4.026 -2.358 1.443 0.00 0.00 +0.134 A ATOM 35 N LIG 1 -4.913 -1.342 1.352 0.00 0.00 -0.239 NA ATOM 36 C LIG 1 -4.674 -0.360 0.456 0.00 0.00 +0.123 A ATOM 37 C LIG 1 -3.522 -0.388 -0.339 0.00 0.00 +0.068 A BRANCH 36 38 ATOM 38 N LIG 1 -5.566 0.724 0.365 0.00 0.00 -0.311 N ATOM 39 C LIG 1 -6.652 0.679 1.368 0.00 0.00 +0.134 C ATOM 40 C LIG 1 -7.510 1.949 1.265 0.00 0.00 +0.178 C ATOM 41 O LIG 1 -8.048 2.113 -0.058 0.00 0.00 -0.377 OA ATOM 42 C LIG 1 -6.979 2.212 -1.012 0.00 0.00 +0.178 C ATOM 43 C LIG 1 -6.088 0.959 -1.001 0.00 0.00 +0.134 C ENDBRANCH 36 38 ENDBRANCH 28 31 ENDBRANCH 26 27 ENDBRANCH 8 26 TORSDOF 7