REMARK Name = BDB006277 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.430 -0.772 0.838 0.00 0.00 -0.229 N ATOM 2 C LIG 1 0.587 0.355 0.793 0.00 0.00 +0.054 A ATOM 3 C LIG 1 -0.683 -0.183 0.766 0.00 0.00 +0.031 A ATOM 4 C LIG 1 -2.123 0.185 0.742 0.00 0.00 +0.146 C ATOM 5 N LIG 1 -2.778 -1.141 0.974 0.00 0.00 -0.250 N ATOM 6 C LIG 1 -1.825 -2.187 1.127 0.00 0.00 +0.272 C ATOM 7 O LIG 1 -2.010 -3.374 1.340 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 -0.540 -1.537 1.000 0.00 0.00 +0.154 A ATOM 9 N LIG 1 0.723 -1.911 1.148 0.00 0.00 -0.161 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -4.168 -1.301 1.038 0.00 0.00 +0.104 A ATOM 11 C LIG 1 -5.080 -0.081 1.210 0.00 0.00 +0.273 A ATOM 12 O LIG 1 -4.613 1.034 1.439 0.00 0.00 -0.266 OA ATOM 13 N LIG 1 -6.458 -0.305 1.129 0.00 0.00 -0.315 N ATOM 14 C LIG 1 -7.366 0.824 1.272 0.00 0.00 +0.152 C ATOM 15 C LIG 1 -6.996 -1.574 1.040 0.00 0.00 +0.108 A ATOM 16 C LIG 1 -6.210 -2.651 0.971 0.00 0.00 +0.059 A ATOM 17 CL LIG 1 -6.882 -4.232 0.866 0.00 0.00 -0.082 Cl ATOM 18 C LIG 1 -4.777 -2.501 0.953 0.00 0.00 +0.050 A ENDBRANCH 5 10 BRANCH 1 20 ATOM 19 C LIG 1 3.548 -0.300 -0.307 0.00 0.00 +0.245 A ATOM 20 C LIG 1 2.819 -0.891 0.691 0.00 0.00 +0.145 A ATOM 21 C LIG 1 3.531 -1.722 1.518 0.00 0.00 +0.147 A ATOM 22 N LIG 1 4.870 -1.870 1.443 0.00 0.00 -0.220 NA ATOM 23 C LIG 1 5.527 -1.198 0.483 0.00 0.00 +0.220 A ATOM 24 N LIG 1 4.888 -0.423 -0.409 0.00 0.00 -0.178 NA BRANCH 23 25 ATOM 25 N LIG 1 6.917 -1.297 0.417 0.00 0.00 -0.306 N ATOM 26 C LIG 1 7.470 -2.456 1.102 0.00 0.00 +0.132 C ATOM 27 C LIG 1 7.485 -0.973 -0.881 0.00 0.00 +0.132 C ENDBRANCH 23 25 BRANCH 19 29 ATOM 28 C LIG 1 3.719 0.780 -2.386 0.00 0.00 +0.279 C ATOM 29 O LIG 1 2.874 0.335 -1.328 0.00 0.00 -0.478 OA ENDBRANCH 19 29 ENDBRANCH 1 20 BRANCH 4 30 ATOM 30 C LIG 1 -2.360 0.772 -0.638 0.00 0.00 -0.022 A ATOM 31 C LIG 1 -2.328 -0.005 -1.811 0.00 0.00 +0.007 A ATOM 32 C LIG 1 -2.543 0.578 -3.064 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -2.797 1.948 -3.167 0.00 0.00 +0.052 A ATOM 34 C LIG 1 -2.837 2.732 -2.012 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -2.620 2.149 -0.760 0.00 0.00 +0.007 A BRANCH 33 36 ATOM 36 C LIG 1 -3.018 2.546 -4.451 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -3.196 3.031 -5.490 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 4 30 BRANCH 2 38 ATOM 38 C LIG 1 0.948 1.814 0.939 0.00 0.00 +0.032 C ATOM 39 C LIG 1 1.130 2.557 -0.380 0.00 0.00 +0.014 C ATOM 40 C LIG 1 2.092 2.087 1.913 0.00 0.00 +0.014 C ENDBRANCH 2 38 TORSDOF 7