REMARK Name = BDB034765 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.793 1.911 0.795 0.00 0.00 -0.292 N ATOM 2 C LIG 1 -0.494 1.750 0.261 0.00 0.00 +0.072 A ATOM 3 C LIG 1 -0.979 3.013 -0.074 0.00 0.00 +0.070 A ATOM 4 C LIG 1 -2.227 3.184 -0.629 0.00 0.00 +0.030 A ATOM 5 C LIG 1 -2.992 2.030 -0.845 0.00 0.00 +0.025 A ATOM 6 C LIG 1 -2.510 0.736 -0.521 0.00 0.00 +0.033 A ATOM 7 N LIG 1 0.009 3.954 0.240 0.00 0.00 -0.295 N ATOM 8 C LIG 1 -0.086 5.366 0.009 0.00 0.00 +0.154 C ATOM 9 C LIG 1 -1.236 0.605 0.050 0.00 0.00 +0.051 A ATOM 10 C LIG 1 1.135 3.282 0.762 0.00 0.00 +0.330 A ATOM 11 O LIG 1 2.197 3.778 1.103 0.00 0.00 -0.246 OA ENDROOT BRANCH 6 12 ATOM 12 N LIG 1 -3.365 -0.367 -0.740 0.00 0.00 -0.313 N ATOM 13 H LIG 1 -3.997 -0.220 -1.526 0.00 0.00 +0.152 HD BRANCH 12 14 ATOM 14 C LIG 1 -3.361 -1.671 -0.194 0.00 0.00 +0.053 A ATOM 15 C LIG 1 -3.719 -2.792 -0.967 0.00 0.00 +0.110 A ATOM 16 C LIG 1 -3.644 -4.046 -0.375 0.00 0.00 +0.148 A ATOM 17 CL LIG 1 -4.048 -5.503 -1.202 0.00 0.00 -0.061 Cl ATOM 18 N LIG 1 -3.249 -4.268 0.898 0.00 0.00 -0.242 NA ATOM 19 C LIG 1 -2.914 -3.185 1.623 0.00 0.00 +0.114 A ATOM 20 C LIG 1 -2.950 -1.893 1.127 0.00 0.00 +0.044 A BRANCH 15 21 ATOM 21 C LIG 1 -4.141 -2.646 -2.323 0.00 0.00 +0.104 C ATOM 22 N LIG 1 -4.492 -2.465 -3.414 0.00 0.00 -0.191 NA ENDBRANCH 15 21 ENDBRANCH 12 14 ENDBRANCH 6 12 BRANCH 1 23 ATOM 23 C LIG 1 1.684 0.849 1.198 0.00 0.00 +0.130 C BRANCH 23 24 ATOM 24 C LIG 1 2.543 0.364 0.026 0.00 0.00 +0.056 C BRANCH 24 25 ATOM 25 C LIG 1 3.532 -0.758 0.397 0.00 0.00 +0.065 C ATOM 26 C LIG 1 4.428 -1.075 -0.806 0.00 0.00 +0.041 C BRANCH 25 28 ATOM 27 C LIG 1 1.846 -2.691 0.005 0.00 0.00 +0.007 C ATOM 28 C LIG 1 2.858 -2.038 0.935 0.00 0.00 +0.031 C ENDBRANCH 25 28 BRANCH 25 29 ATOM 29 O LIG 1 4.384 -0.285 1.449 0.00 0.00 -0.389 OA ATOM 30 H LIG 1 4.840 0.516 1.136 0.00 0.00 +0.210 HD ENDBRANCH 25 29 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 1 23 TORSDOF 8