REMARK Name = BDB006644 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.337 0.536 1.384 0.00 0.00 +0.069 A ATOM 2 C LIG 1 1.129 0.158 0.802 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -0.307 0.485 0.750 0.00 0.00 +0.146 C ATOM 4 N LIG 1 -0.814 -0.582 -0.171 0.00 0.00 -0.253 N ATOM 5 C LIG 1 0.249 -1.434 -0.610 0.00 0.00 +0.271 C ATOM 6 O LIG 1 0.193 -2.398 -1.353 0.00 0.00 -0.268 OA ATOM 7 C LIG 1 1.415 -0.928 0.028 0.00 0.00 +0.137 A ATOM 8 N LIG 1 2.747 -1.182 0.127 0.00 0.00 -0.209 N ATOM 9 N LIG 1 3.324 -0.280 0.977 0.00 0.00 -0.169 NA ENDROOT BRANCH 4 10 ATOM 10 C LIG 1 -2.173 -0.720 -0.479 0.00 0.00 +0.054 A ATOM 11 C LIG 1 -3.126 0.044 0.093 0.00 0.00 +0.112 A ATOM 12 N LIG 1 -4.475 -0.083 -0.200 0.00 0.00 -0.316 N ATOM 13 C LIG 1 -5.416 0.798 0.476 0.00 0.00 +0.152 C ATOM 14 C LIG 1 -4.960 -1.019 -1.108 0.00 0.00 +0.254 A ATOM 15 O LIG 1 -6.147 -1.167 -1.382 0.00 0.00 -0.267 OA ATOM 16 C LIG 1 -3.924 -1.871 -1.766 0.00 0.00 +0.016 A ATOM 17 C LIG 1 -4.412 -2.871 -2.765 0.00 0.00 +0.049 C ATOM 18 C LIG 1 -2.628 -1.703 -1.450 0.00 0.00 +0.033 A ENDBRANCH 4 10 BRANCH 3 19 ATOM 19 C LIG 1 -0.398 1.901 0.214 0.00 0.00 -0.022 A ATOM 20 C LIG 1 -0.196 2.209 -1.144 0.00 0.00 +0.007 A ATOM 21 C LIG 1 -0.288 3.527 -1.601 0.00 0.00 +0.020 A ATOM 22 C LIG 1 -0.580 4.552 -0.706 0.00 0.00 +0.041 A ATOM 23 CL LIG 1 -0.692 6.174 -1.267 0.00 0.00 -0.084 Cl ATOM 24 C LIG 1 -0.781 4.271 0.643 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -0.691 2.954 1.101 0.00 0.00 +0.007 A ENDBRANCH 3 19 BRANCH 8 26 ATOM 26 C LIG 1 3.560 -2.147 -0.452 0.00 0.00 +0.153 A ATOM 27 N LIG 1 4.914 -2.286 -0.254 0.00 0.00 -0.250 N ATOM 28 C LIG 1 5.814 -1.507 0.568 0.00 0.00 +0.174 C ATOM 29 N LIG 1 5.442 -3.320 -0.951 0.00 0.00 -0.178 NA ATOM 30 C LIG 1 4.401 -3.838 -1.601 0.00 0.00 +0.136 A ATOM 31 C LIG 1 3.207 -3.150 -1.330 0.00 0.00 +0.069 A ENDBRANCH 8 26 BRANCH 1 33 ATOM 32 C LIG 1 2.090 1.384 3.727 0.00 0.00 +0.010 C ATOM 33 C LIG 1 2.626 1.652 2.329 0.00 0.00 +0.054 C ENDBRANCH 1 33 TORSDOF 4