REMARK Name = BDB029051 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.652 1.772 3.299 0.00 0.00 +0.153 C ATOM 2 N LIG 1 -3.828 1.783 2.109 0.00 0.00 -0.302 N ATOM 3 C LIG 1 -4.185 0.918 1.065 0.00 0.00 +0.263 A ATOM 4 O LIG 1 -5.165 0.182 1.095 0.00 0.00 -0.267 OA ATOM 5 C LIG 1 -3.282 0.993 -0.065 0.00 0.00 +0.091 A ATOM 6 C LIG 1 -3.197 0.311 -1.310 0.00 0.00 +0.014 A ATOM 7 C LIG 1 -2.111 0.852 -1.981 0.00 0.00 +0.097 A ATOM 8 N LIG 1 -1.541 1.813 -1.179 0.00 0.00 -0.322 N ATOM 9 C LIG 1 -2.243 1.896 -0.007 0.00 0.00 +0.149 A ATOM 10 N LIG 1 -1.919 2.728 1.012 0.00 0.00 -0.219 NA ATOM 11 C LIG 1 -2.735 2.634 2.021 0.00 0.00 +0.204 A ENDROOT BRANCH 6 12 ATOM 12 C LIG 1 -3.998 -0.771 -1.852 0.00 0.00 -0.013 A ATOM 13 C LIG 1 -4.222 -1.928 -1.095 0.00 0.00 +0.025 A ATOM 14 C LIG 1 -4.975 -2.991 -1.617 0.00 0.00 +0.080 A ATOM 15 C LIG 1 -5.544 -2.880 -2.893 0.00 0.00 +0.147 A ATOM 16 C LIG 1 -5.309 -1.728 -3.654 0.00 0.00 +0.084 A ATOM 17 CL LIG 1 -5.966 -1.556 -5.242 0.00 0.00 -0.080 Cl ATOM 18 C LIG 1 -4.537 -0.682 -3.140 0.00 0.00 +0.032 A BRANCH 14 19 ATOM 19 C LIG 1 -5.116 -4.208 -0.774 0.00 0.00 +0.245 C ATOM 20 O LIG 1 -5.050 -4.173 0.446 0.00 0.00 -0.270 OA ATOM 21 N LIG 1 -5.288 -5.399 -1.432 0.00 0.00 -0.325 N ATOM 22 H LIG 1 -4.923 -5.503 -2.375 0.00 0.00 +0.145 HD ATOM 23 H LIG 1 -5.194 -6.215 -0.837 0.00 0.00 +0.145 HD ENDBRANCH 14 19 BRANCH 15 24 ATOM 24 O LIG 1 -6.345 -3.865 -3.419 0.00 0.00 -0.505 OA ATOM 25 H LIG 1 -6.677 -4.420 -2.686 0.00 0.00 +0.292 HD ENDBRANCH 15 24 ENDBRANCH 6 12 BRANCH 8 26 ATOM 26 C LIG 1 -0.376 2.613 -1.513 0.00 0.00 +0.219 C BRANCH 26 27 ATOM 27 C LIG 1 0.908 1.983 -1.009 0.00 0.00 +0.237 C ATOM 28 N LIG 1 1.018 1.955 0.371 0.00 0.00 -0.283 N ATOM 29 H LIG 1 0.175 2.194 0.901 0.00 0.00 +0.155 HD ATOM 30 O LIG 1 1.743 1.559 -1.807 0.00 0.00 -0.274 OA BRANCH 28 31 ATOM 31 C LIG 1 2.094 1.433 1.139 0.00 0.00 +0.057 A ATOM 32 C LIG 1 1.919 1.237 2.509 0.00 0.00 +0.080 A ATOM 33 CL LIG 1 0.446 1.611 3.322 0.00 0.00 -0.080 Cl ATOM 34 C LIG 1 2.974 0.713 3.230 0.00 0.00 +0.134 A ATOM 35 N LIG 1 4.173 0.390 2.692 0.00 0.00 -0.239 NA ATOM 36 C LIG 1 4.369 0.587 1.370 0.00 0.00 +0.123 A ATOM 37 C LIG 1 3.339 1.113 0.583 0.00 0.00 +0.068 A BRANCH 36 38 ATOM 38 N LIG 1 5.620 0.296 0.852 0.00 0.00 -0.310 N ATOM 39 C LIG 1 5.872 0.220 -0.601 0.00 0.00 +0.138 C ATOM 40 C LIG 1 7.327 -0.203 -0.883 0.00 0.00 +0.138 C ATOM 41 O LIG 1 7.599 -1.526 -0.272 0.00 0.00 -0.370 OA ATOM 42 C LIG 1 7.858 -0.773 0.983 0.00 0.00 +0.138 C ATOM 43 C LIG 1 8.362 0.398 0.102 0.00 0.00 +0.066 C ATOM 44 C LIG 1 6.530 -0.488 1.713 0.00 0.00 +0.138 C ENDBRANCH 36 38 ENDBRANCH 28 31 ENDBRANCH 26 27 ENDBRANCH 8 26 TORSDOF 7