REMARK Name = BDB029008 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -6.460 -2.535 2.808 0.00 0.00 +0.153 C ATOM 2 N LIG 1 -5.268 -1.988 2.199 0.00 0.00 -0.302 N ATOM 3 C LIG 1 -5.426 -0.958 1.263 0.00 0.00 +0.263 A ATOM 4 O LIG 1 -6.521 -0.495 0.946 0.00 0.00 -0.267 OA ATOM 5 C LIG 1 -4.169 -0.484 0.717 0.00 0.00 +0.091 A ATOM 6 C LIG 1 -3.808 0.493 -0.257 0.00 0.00 +0.014 A ATOM 7 C LIG 1 -2.423 0.474 -0.335 0.00 0.00 +0.097 A ATOM 8 N LIG 1 -1.951 -0.460 0.556 0.00 0.00 -0.322 N ATOM 9 C LIG 1 -3.007 -1.068 1.177 0.00 0.00 +0.149 A ATOM 10 N LIG 1 -2.879 -2.061 2.086 0.00 0.00 -0.219 NA ATOM 11 C LIG 1 -4.017 -2.472 2.556 0.00 0.00 +0.204 A ENDROOT BRANCH 6 12 ATOM 12 C LIG 1 -4.628 1.386 -1.061 0.00 0.00 -0.013 A ATOM 13 C LIG 1 -5.722 2.041 -0.487 0.00 0.00 +0.025 A ATOM 14 C LIG 1 -6.561 2.855 -1.261 0.00 0.00 +0.080 A ATOM 15 C LIG 1 -6.256 3.081 -2.612 0.00 0.00 +0.147 A ATOM 16 C LIG 1 -5.151 2.444 -3.184 0.00 0.00 +0.084 A ATOM 17 CL LIG 1 -4.739 2.669 -4.847 0.00 0.00 -0.080 Cl ATOM 18 C LIG 1 -4.350 1.592 -2.417 0.00 0.00 +0.032 A BRANCH 14 19 ATOM 19 C LIG 1 -7.773 3.468 -0.662 0.00 0.00 +0.245 C ATOM 20 O LIG 1 -8.301 4.443 -1.187 0.00 0.00 -0.270 OA ATOM 21 N LIG 1 -8.311 2.874 0.445 0.00 0.00 -0.325 N ATOM 22 H LIG 1 -8.080 1.921 0.704 0.00 0.00 +0.145 HD ATOM 23 H LIG 1 -9.215 3.219 0.744 0.00 0.00 +0.145 HD ENDBRANCH 14 19 BRANCH 15 24 ATOM 24 O LIG 1 -7.021 3.909 -3.397 0.00 0.00 -0.505 OA ATOM 25 H LIG 1 -7.673 4.370 -2.824 0.00 0.00 +0.292 HD ENDBRANCH 15 24 ENDBRANCH 6 12 BRANCH 8 26 ATOM 26 C LIG 1 -0.550 -0.796 0.773 0.00 0.00 +0.219 C BRANCH 26 27 ATOM 27 C LIG 1 0.035 -0.097 1.990 0.00 0.00 +0.237 C ATOM 28 N LIG 1 1.297 -0.432 2.432 0.00 0.00 -0.283 N ATOM 29 H LIG 1 1.681 0.339 2.970 0.00 0.00 +0.155 HD ATOM 30 O LIG 1 -0.513 0.858 2.547 0.00 0.00 -0.274 OA BRANCH 28 31 ATOM 31 C LIG 1 2.205 -1.310 1.808 0.00 0.00 +0.057 A ATOM 32 C LIG 1 2.030 -2.692 1.762 0.00 0.00 +0.080 A ATOM 33 CL LIG 1 0.751 -3.518 2.567 0.00 0.00 -0.080 Cl ATOM 34 C LIG 1 3.017 -3.433 1.140 0.00 0.00 +0.134 A ATOM 35 N LIG 1 4.137 -2.900 0.593 0.00 0.00 -0.239 NA ATOM 36 C LIG 1 4.335 -1.567 0.674 0.00 0.00 +0.123 A ATOM 37 C LIG 1 3.389 -0.758 1.306 0.00 0.00 +0.068 A BRANCH 36 38 ATOM 38 N LIG 1 5.507 -1.035 0.155 0.00 0.00 -0.312 N ATOM 39 C LIG 1 5.480 0.291 -0.498 0.00 0.00 +0.129 C ATOM 40 C LIG 1 6.340 0.333 -1.777 0.00 0.00 +0.094 C ATOM 41 N LIG 1 7.655 -0.231 -1.585 0.00 0.00 -0.295 N ATOM 42 C LIG 1 8.643 0.441 -2.272 0.00 0.00 +0.216 C ATOM 43 C LIG 1 7.971 1.557 -3.037 0.00 0.00 +0.098 C ATOM 44 O LIG 1 9.832 0.178 -2.286 0.00 0.00 -0.276 OA ATOM 45 C LIG 1 7.850 -1.320 -0.644 0.00 0.00 +0.127 C ATOM 46 C LIG 1 6.648 1.733 -2.288 0.00 0.00 +0.033 C ATOM 47 C LIG 1 6.519 -2.013 -0.306 0.00 0.00 +0.125 C ENDBRANCH 36 38 ENDBRANCH 28 31 ENDBRANCH 26 27 ENDBRANCH 8 26 TORSDOF 7