REMARK Name = BDB015937 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.063 -2.255 -0.538 0.00 0.00 +0.162 A ATOM 2 N LIG 1 0.253 -1.266 -0.116 0.00 0.00 -0.212 NA ATOM 3 C LIG 1 -1.065 -1.530 0.014 0.00 0.00 +0.132 A ATOM 4 C LIG 1 -1.601 -2.773 -0.305 0.00 0.00 +0.060 A ATOM 5 C LIG 1 -0.680 -3.721 -0.710 0.00 0.00 +0.126 A ATOM 6 N LIG 1 0.645 -3.496 -0.836 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 4.378 -0.364 -0.466 0.00 0.00 -0.014 A ATOM 8 C LIG 1 3.014 -0.676 -0.345 0.00 0.00 +0.020 A ATOM 9 C LIG 1 2.502 -1.949 -0.673 0.00 0.00 +0.020 A ATOM 10 C LIG 1 3.419 -2.910 -1.136 0.00 0.00 +0.011 A ATOM 11 C LIG 1 4.778 -2.615 -1.268 0.00 0.00 +0.001 A ATOM 12 C LIG 1 5.254 -1.347 -0.935 0.00 0.00 +0.008 A BRANCH 7 17 ATOM 13 C LIG 1 4.973 4.048 1.735 0.00 0.00 +0.172 C ATOM 14 N LIG 1 5.125 2.901 0.873 0.00 0.00 -0.274 N ATOM 15 N LIG 1 6.120 2.880 -0.031 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 5.971 1.696 -0.630 0.00 0.00 +0.142 A ATOM 17 C LIG 1 4.878 0.956 -0.119 0.00 0.00 +0.020 A ATOM 18 C LIG 1 4.354 1.775 0.860 0.00 0.00 +0.116 A ENDBRANCH 7 17 ENDBRANCH 1 9 BRANCH 4 19 ATOM 19 C LIG 1 -3.018 -3.104 -0.254 0.00 0.00 +0.097 A ATOM 20 N LIG 1 -3.434 -4.326 0.123 0.00 0.00 -0.171 NA ATOM 21 N LIG 1 -4.774 -4.271 0.039 0.00 0.00 -0.274 N ATOM 22 C LIG 1 -5.554 -5.437 0.379 0.00 0.00 +0.172 C ATOM 23 C LIG 1 -5.243 -3.066 -0.383 0.00 0.00 +0.108 A ATOM 24 C LIG 1 -4.131 -2.286 -0.590 0.00 0.00 +0.049 A ENDBRANCH 4 19 BRANCH 3 25 ATOM 25 N LIG 1 -1.892 -0.475 0.481 0.00 0.00 -0.326 N ATOM 26 H LIG 1 -2.451 -0.834 1.252 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 -1.362 0.827 0.763 0.00 0.00 +0.073 C ATOM 28 C LIG 1 -1.077 1.654 -0.513 0.00 0.00 +0.031 C ATOM 29 C LIG 1 -1.729 2.888 0.198 0.00 0.00 -0.000 C ATOM 30 C LIG 1 -2.464 1.849 1.116 0.00 0.00 +0.031 C BRANCH 29 31 ATOM 31 C LIG 1 -0.648 3.721 0.913 0.00 0.00 +0.117 C ATOM 32 CL LIG 1 -1.347 4.849 2.099 0.00 0.00 -0.125 Cl ENDBRANCH 29 31 BRANCH 29 33 ATOM 33 C LIG 1 -2.603 3.784 -0.699 0.00 0.00 +0.085 C BRANCH 33 34 ATOM 34 N LIG 1 -3.568 3.044 -1.509 0.00 0.00 -0.329 NA ATOM 35 H LIG 1 -4.044 3.692 -2.137 0.00 0.00 +0.118 HD ATOM 36 H LIG 1 -4.297 2.657 -0.911 0.00 0.00 +0.118 HD ENDBRANCH 33 34 ENDBRANCH 29 33 ENDBRANCH 25 27 ENDBRANCH 3 25 TORSDOF 8