REMARK Name = BDB005342 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.405 -0.497 -0.717 0.00 0.00 +0.149 A ATOM 2 N LIG 1 1.499 -0.389 0.357 0.00 0.00 -0.323 N ATOM 3 C LIG 1 0.304 -0.788 -0.169 0.00 0.00 +0.073 A ATOM 4 C LIG 1 -1.143 -0.852 0.162 0.00 0.00 +0.134 C ATOM 5 N LIG 1 -1.533 -1.933 -0.818 0.00 0.00 -0.257 N ATOM 6 C LIG 1 -0.512 -2.244 -1.757 0.00 0.00 +0.272 C ATOM 7 O LIG 1 -0.507 -3.052 -2.670 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 0.618 -1.473 -1.304 0.00 0.00 +0.149 A ATOM 9 N LIG 1 1.912 -1.306 -1.652 0.00 0.00 -0.222 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -2.720 -2.705 -0.685 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -3.529 -3.056 -1.789 0.00 0.00 -0.029 A ATOM 12 C LIG 1 -3.292 -2.568 -3.195 0.00 0.00 +0.045 C ATOM 13 C LIG 1 -4.660 -3.872 -1.585 0.00 0.00 +0.006 A ATOM 14 C LIG 1 -5.020 -4.299 -0.309 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -4.247 -3.916 0.778 0.00 0.00 +0.043 A ATOM 16 CL LIG 1 -4.686 -4.428 2.361 0.00 0.00 -0.083 Cl ATOM 17 C LIG 1 -3.111 -3.127 0.597 0.00 0.00 +0.043 A ENDBRANCH 5 10 BRANCH 4 18 ATOM 18 C LIG 1 -1.883 0.482 -0.206 0.00 0.00 +0.016 C ATOM 19 C LIG 1 -1.334 1.751 0.491 0.00 0.00 +0.006 C ATOM 20 C LIG 1 -2.154 2.158 1.713 0.00 0.00 +0.003 C ATOM 21 C LIG 1 -3.607 2.500 1.347 0.00 0.00 -0.014 C ATOM 22 C LIG 1 -3.798 4.003 1.143 0.00 0.00 +0.007 C ATOM 23 C LIG 1 -4.085 1.730 0.107 0.00 0.00 +0.003 C ATOM 24 C LIG 1 -3.412 0.365 0.006 0.00 0.00 +0.006 C ENDBRANCH 4 18 BRANCH 1 28 ATOM 25 C LIG 1 6.225 1.148 -1.042 0.00 0.00 +0.321 A ATOM 26 N LIG 1 5.257 1.969 -0.619 0.00 0.00 -0.159 NA ATOM 27 C LIG 1 4.021 1.436 -0.533 0.00 0.00 +0.231 A ATOM 28 C LIG 1 3.727 0.112 -0.812 0.00 0.00 +0.097 A ATOM 29 C LIG 1 4.804 -0.622 -1.266 0.00 0.00 +0.133 A ATOM 30 N LIG 1 6.061 -0.140 -1.377 0.00 0.00 -0.202 NA BRANCH 25 32 ATOM 31 C LIG 1 8.461 0.850 -1.642 0.00 0.00 +0.280 C ATOM 32 O LIG 1 7.474 1.725 -1.113 0.00 0.00 -0.466 OA ENDBRANCH 25 32 BRANCH 27 33 ATOM 33 O LIG 1 2.978 2.260 -0.145 0.00 0.00 -0.479 OA ATOM 34 C LIG 1 3.347 3.632 -0.035 0.00 0.00 +0.279 C ENDBRANCH 27 33 ENDBRANCH 1 28 BRANCH 2 35 ATOM 35 C LIG 1 1.845 -0.079 1.749 0.00 0.00 +0.083 C ATOM 36 C LIG 1 3.079 -0.861 2.234 0.00 0.00 +0.030 C ATOM 37 C LIG 1 0.733 -0.355 2.770 0.00 0.00 +0.030 C ENDBRANCH 2 35 TORSDOF 6