REMARK Name = BDB048886 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.944 -0.280 -1.638 0.00 0.00 +0.141 A ATOM 2 N LIG 1 1.573 -0.233 -1.524 0.00 0.00 -0.335 N ATOM 3 H LIG 1 1.039 -0.123 -0.676 0.00 0.00 +0.167 HD ATOM 4 C LIG 1 1.018 -0.345 -2.771 0.00 0.00 +0.108 A ATOM 5 C LIG 1 2.111 -0.454 -3.611 0.00 0.00 +0.180 A ATOM 6 N LIG 1 2.004 -0.582 -4.950 0.00 0.00 -0.233 NA ATOM 7 C LIG 1 0.725 -0.592 -5.392 0.00 0.00 +0.135 A ATOM 8 C LIG 1 -0.427 -0.487 -4.605 0.00 0.00 +0.082 A ATOM 9 CL LIG 1 -1.945 -0.527 -5.430 0.00 0.00 -0.080 Cl ATOM 10 C LIG 1 -0.311 -0.355 -3.207 0.00 0.00 +0.077 A ATOM 11 N LIG 1 3.282 -0.412 -2.911 0.00 0.00 -0.208 NA ENDROOT BRANCH 1 15 ATOM 12 C LIG 1 5.777 -0.008 1.644 0.00 0.00 +0.029 A ATOM 13 C LIG 1 4.392 -0.079 1.871 0.00 0.00 +0.024 A ATOM 14 C LIG 1 3.458 -0.171 0.824 0.00 0.00 +0.013 A ATOM 15 C LIG 1 3.875 -0.186 -0.508 0.00 0.00 +0.017 A ATOM 16 C LIG 1 5.247 -0.104 -0.755 0.00 0.00 +0.013 A ATOM 17 C LIG 1 6.172 -0.009 0.297 0.00 0.00 +0.024 A BRANCH 12 19 ATOM 18 C LIG 1 6.296 -0.373 4.021 0.00 0.00 +0.129 C ATOM 19 N LIG 1 6.694 0.102 2.697 0.00 0.00 -0.336 N ATOM 20 C LIG 1 8.125 0.024 2.405 0.00 0.00 +0.129 C ENDBRANCH 12 19 ENDBRANCH 1 15 BRANCH 10 21 ATOM 21 N LIG 1 -1.315 -0.238 -2.248 0.00 0.00 -0.325 N ATOM 22 C LIG 1 -2.107 1.011 -2.339 0.00 0.00 +0.120 C ATOM 23 C LIG 1 -3.014 1.141 -1.091 0.00 0.00 +0.104 C ATOM 24 N LIG 1 -3.912 -0.029 -0.916 0.00 0.00 -0.291 NA ATOM 25 C LIG 1 -3.099 -1.267 -0.877 0.00 0.00 +0.104 C ATOM 26 C LIG 1 -2.188 -1.425 -2.119 0.00 0.00 +0.120 C BRANCH 24 27 ATOM 27 C LIG 1 -4.736 0.088 0.311 0.00 0.00 +0.181 C BRANCH 27 28 ATOM 28 C LIG 1 -5.831 1.160 0.200 0.00 0.00 +0.233 C ATOM 29 N LIG 1 -6.641 1.472 1.248 0.00 0.00 -0.264 N ATOM 30 H LIG 1 -7.293 2.217 1.032 0.00 0.00 +0.157 HD ATOM 31 O LIG 1 -6.027 1.800 -0.841 0.00 0.00 -0.274 OA BRANCH 29 32 ATOM 32 C LIG 1 -6.796 0.994 2.519 0.00 0.00 +0.164 A ATOM 33 S LIG 1 -5.921 -0.309 3.174 0.00 0.00 -0.061 S ATOM 34 C LIG 1 -6.773 -0.149 4.649 0.00 0.00 +0.068 A ATOM 35 C LIG 1 -7.673 0.888 4.543 0.00 0.00 +0.120 A ATOM 36 N LIG 1 -7.682 1.535 3.323 0.00 0.00 -0.233 NA ENDBRANCH 29 32 ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 10 21 TORSDOF 6