REMARK Name = BDB043026 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.124 3.992 -0.138 0.00 0.00 +0.019 A ATOM 2 C LIG 1 -0.141 2.635 -0.107 0.00 0.00 +0.163 A ATOM 3 N LIG 1 1.051 1.992 0.258 0.00 0.00 -0.200 N ATOM 4 C LIG 1 1.102 0.575 0.387 0.00 0.00 +0.126 A ATOM 5 C LIG 1 -0.028 -0.112 0.140 0.00 0.00 +0.087 A ATOM 6 C LIG 1 -1.255 0.644 -0.266 0.00 0.00 +0.124 A ATOM 7 N LIG 1 2.055 2.905 0.444 0.00 0.00 -0.171 NA ATOM 8 N LIG 1 -1.293 1.949 -0.364 0.00 0.00 -0.213 NA ATOM 9 C LIG 1 1.485 4.084 0.211 0.00 0.00 +0.141 A ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 -1.962 5.223 0.529 0.00 0.00 +0.012 C ATOM 11 C LIG 1 -0.803 5.125 -0.464 0.00 0.00 +0.018 C ATOM 12 C LIG 1 -1.325 5.046 -1.899 0.00 0.00 +0.012 C ENDBRANCH 1 11 BRANCH 6 13 ATOM 13 N LIG 1 -2.440 0.001 -0.542 0.00 0.00 -0.329 N ATOM 14 H LIG 1 -3.116 0.706 -0.837 0.00 0.00 +0.147 HD BRANCH 13 15 ATOM 15 C LIG 1 -2.519 -1.187 -1.379 0.00 0.00 +0.109 C BRANCH 15 16 ATOM 16 C LIG 1 -3.809 -1.980 -1.114 0.00 0.00 +0.037 C ATOM 17 C LIG 1 -5.095 -1.189 -1.397 0.00 0.00 +0.133 C ATOM 18 C LIG 1 -6.347 -2.068 -1.160 0.00 0.00 +0.112 C ATOM 19 N LIG 1 -6.219 -3.079 -0.103 0.00 0.00 -0.314 NA ATOM 20 H LIG 1 -5.926 -3.965 -0.514 0.00 0.00 +0.122 HD ATOM 21 C LIG 1 -5.240 -2.674 0.901 0.00 0.00 +0.081 C ATOM 22 C LIG 1 -3.833 -2.587 0.306 0.00 0.00 +0.023 C BRANCH 17 23 ATOM 23 O LIG 1 -5.080 -0.695 -2.736 0.00 0.00 -0.390 OA ATOM 24 H LIG 1 -5.195 -1.447 -3.342 0.00 0.00 +0.210 HD ENDBRANCH 17 23 ENDBRANCH 15 16 ENDBRANCH 13 15 ENDBRANCH 6 13 BRANCH 4 25 ATOM 25 N LIG 1 2.271 -0.084 0.771 0.00 0.00 -0.323 N ATOM 26 H LIG 1 2.280 -1.095 0.635 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 3.624 0.460 0.763 0.00 0.00 +0.160 C BRANCH 27 28 ATOM 28 C LIG 1 4.697 -0.576 0.962 0.00 0.00 +0.077 A ATOM 29 N LIG 1 4.454 -1.911 0.677 0.00 0.00 -0.231 NA ATOM 30 C LIG 1 5.574 -2.540 0.959 0.00 0.00 +0.138 A ATOM 31 N LIG 1 6.550 -1.661 1.420 0.00 0.00 -0.305 N ATOM 32 C LIG 1 7.831 -2.056 1.792 0.00 0.00 +0.112 A ATOM 33 C LIG 1 8.157 -3.356 1.706 0.00 0.00 +0.058 A ATOM 34 C LIG 1 7.168 -4.311 1.228 0.00 0.00 +0.025 A ATOM 35 CL LIG 1 9.717 -3.922 2.145 0.00 0.00 -0.082 Cl ATOM 36 C LIG 1 5.929 -3.916 0.871 0.00 0.00 +0.048 A ATOM 37 C LIG 1 5.989 -0.410 1.419 0.00 0.00 +0.117 A ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 4 25 TORSDOF 8