REMARK Name = BDB010730 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.382 0.455 0.745 0.00 0.00 -0.306 N ATOM 2 C LIG 1 0.173 1.731 0.239 0.00 0.00 +0.116 A ATOM 3 C LIG 1 1.464 2.249 0.127 0.00 0.00 +0.184 A ATOM 4 N LIG 1 1.772 3.475 -0.322 0.00 0.00 -0.202 NA ATOM 5 C LIG 1 0.708 4.194 -0.665 0.00 0.00 +0.220 A ATOM 6 N LIG 1 -0.578 3.803 -0.601 0.00 0.00 -0.221 NA ATOM 7 N LIG 1 2.410 1.374 0.541 0.00 0.00 -0.194 NA ATOM 8 C LIG 1 -0.880 2.562 -0.145 0.00 0.00 +0.101 A ATOM 9 C LIG 1 1.762 0.294 0.884 0.00 0.00 +0.201 A ENDROOT BRANCH 9 10 ATOM 10 N LIG 1 2.322 -0.827 1.411 0.00 0.00 -0.293 N ATOM 11 C LIG 1 2.624 -1.986 0.525 0.00 0.00 +0.105 C ATOM 12 C LIG 1 3.971 -2.691 0.845 0.00 0.00 +0.139 C ATOM 13 C LIG 1 5.032 -1.960 0.012 0.00 0.00 +0.033 C ATOM 14 C LIG 1 4.272 -1.206 -1.075 0.00 0.00 +0.004 C ATOM 15 O LIG 1 4.385 -2.800 2.205 0.00 0.00 -0.373 OA ATOM 16 C LIG 1 3.711 -1.911 3.098 0.00 0.00 +0.179 C ATOM 17 C LIG 1 2.820 -1.656 -0.959 0.00 0.00 +0.025 C ATOM 18 C LIG 1 3.337 -0.578 2.450 0.00 0.00 +0.136 C ENDBRANCH 9 10 BRANCH 5 19 ATOM 19 C LIG 1 0.969 5.556 -1.172 0.00 0.00 +0.287 A ATOM 20 O LIG 1 -0.132 6.290 -1.484 0.00 0.00 -0.385 OA ATOM 21 C LIG 1 0.377 7.475 -1.917 0.00 0.00 +0.436 A ATOM 22 O LIG 1 -0.270 8.433 -2.302 0.00 0.00 -0.221 OA ATOM 23 N LIG 1 1.737 7.365 -1.833 0.00 0.00 -0.208 N ATOM 24 H LIG 1 2.403 8.082 -2.089 0.00 0.00 +0.195 HD ATOM 25 N LIG 1 2.113 6.148 -1.361 0.00 0.00 -0.127 NA ENDBRANCH 5 19 BRANCH 8 26 ATOM 26 C LIG 1 -2.303 2.269 -0.163 0.00 0.00 +0.004 A ATOM 27 C LIG 1 -3.102 2.479 0.970 0.00 0.00 +0.030 A ATOM 28 C LIG 1 -4.474 2.230 0.922 0.00 0.00 +0.042 A ATOM 29 CL LIG 1 -5.428 2.455 2.335 0.00 0.00 -0.084 Cl ATOM 30 C LIG 1 -5.077 1.797 -0.257 0.00 0.00 +0.020 A ATOM 31 C LIG 1 -4.305 1.627 -1.404 0.00 0.00 +0.002 A ATOM 32 C LIG 1 -2.930 1.872 -1.360 0.00 0.00 +0.010 A ENDBRANCH 8 26 BRANCH 1 34 ATOM 33 C LIG 1 -1.099 -0.106 2.627 0.00 0.00 +0.031 C ATOM 34 C LIG 1 -0.570 -0.542 1.254 0.00 0.00 +0.091 C BRANCH 34 35 ATOM 35 C LIG 1 -1.679 -1.038 0.282 0.00 0.00 +0.012 C ATOM 36 C LIG 1 -2.462 -2.227 0.894 0.00 0.00 +0.006 C ATOM 37 C LIG 1 -3.178 -3.045 -0.174 0.00 0.00 +0.003 C ATOM 38 C LIG 1 -2.180 -3.706 -1.137 0.00 0.00 -0.014 C ATOM 39 C LIG 1 -2.861 -4.009 -2.472 0.00 0.00 +0.007 C ATOM 40 C LIG 1 -0.906 -2.865 -1.330 0.00 0.00 +0.003 C ATOM 41 C LIG 1 -1.167 -1.375 -1.137 0.00 0.00 +0.006 C ENDBRANCH 34 35 ENDBRANCH 1 34 TORSDOF 5