REMARK Name = BDB005507 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.818 -0.623 1.247 0.00 0.00 -0.248 N ATOM 2 C LIG 1 -1.172 0.084 0.083 0.00 0.00 +0.161 C ATOM 3 C LIG 1 0.245 -0.270 0.336 0.00 0.00 +0.077 A ATOM 4 C LIG 1 0.413 -0.984 1.477 0.00 0.00 +0.150 A ATOM 5 N LIG 1 1.710 -1.292 1.694 0.00 0.00 -0.222 NA ATOM 6 C LIG 1 2.352 -0.832 0.622 0.00 0.00 +0.149 A ATOM 7 N LIG 1 1.474 -0.152 -0.238 0.00 0.00 -0.322 N ATOM 8 C LIG 1 -0.859 -1.221 2.112 0.00 0.00 +0.272 C ATOM 9 O LIG 1 -1.032 -1.834 3.153 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 13 ATOM 10 N LIG 1 -5.525 -0.308 0.594 0.00 0.00 -0.313 N ATOM 11 C LIG 1 -4.162 -0.396 0.285 0.00 0.00 +0.273 A ATOM 12 O LIG 1 -3.752 -0.301 -0.871 0.00 0.00 -0.266 OA ATOM 13 C LIG 1 -3.204 -0.657 1.449 0.00 0.00 +0.104 A ATOM 14 C LIG 1 -3.766 -0.921 2.646 0.00 0.00 +0.050 A ATOM 15 C LIG 1 -5.189 -0.900 2.860 0.00 0.00 +0.059 A ATOM 16 CL LIG 1 -5.800 -1.252 4.430 0.00 0.00 -0.082 Cl ATOM 17 C LIG 1 -6.013 -0.583 1.857 0.00 0.00 +0.109 A BRANCH 10 19 ATOM 18 C LIG 1 -6.922 -1.315 -1.184 0.00 0.00 +0.027 C ATOM 19 C LIG 1 -6.475 -0.040 -0.486 0.00 0.00 +0.121 C ENDBRANCH 10 19 ENDBRANCH 1 13 BRANCH 2 20 ATOM 20 C LIG 1 -1.425 1.585 0.125 0.00 0.00 -0.021 A ATOM 21 C LIG 1 -1.102 2.361 1.255 0.00 0.00 +0.007 A ATOM 22 C LIG 1 -1.347 3.737 1.273 0.00 0.00 +0.020 A ATOM 23 C LIG 1 -1.921 4.353 0.165 0.00 0.00 +0.041 A ATOM 24 CL LIG 1 -2.223 6.046 0.188 0.00 0.00 -0.084 Cl ATOM 25 C LIG 1 -2.255 3.605 -0.961 0.00 0.00 +0.020 A ATOM 26 C LIG 1 -2.008 2.230 -0.980 0.00 0.00 +0.007 A ENDBRANCH 2 20 BRANCH 6 27 ATOM 27 C LIG 1 3.787 -1.000 0.428 0.00 0.00 +0.097 A ATOM 28 C LIG 1 4.372 -1.675 -0.629 0.00 0.00 +0.231 A ATOM 29 N LIG 1 5.703 -1.813 -0.790 0.00 0.00 -0.159 NA ATOM 30 C LIG 1 6.470 -1.291 0.174 0.00 0.00 +0.321 A ATOM 31 N LIG 1 6.022 -0.643 1.261 0.00 0.00 -0.202 NA ATOM 32 C LIG 1 4.681 -0.529 1.367 0.00 0.00 +0.133 A BRANCH 28 33 ATOM 33 O LIG 1 3.531 -2.217 -1.588 0.00 0.00 -0.479 OA ATOM 34 C LIG 1 4.208 -3.032 -2.540 0.00 0.00 +0.279 C ENDBRANCH 28 33 BRANCH 30 35 ATOM 35 O LIG 1 7.824 -1.446 -0.025 0.00 0.00 -0.466 OA ATOM 36 C LIG 1 8.605 -0.966 1.061 0.00 0.00 +0.280 C ENDBRANCH 30 35 ENDBRANCH 6 27 BRANCH 7 37 ATOM 37 C LIG 1 1.839 0.557 -1.460 0.00 0.00 +0.083 C ATOM 38 C LIG 1 0.963 0.185 -2.656 0.00 0.00 +0.030 C ATOM 39 C LIG 1 1.910 2.069 -1.249 0.00 0.00 +0.030 C ENDBRANCH 7 37 TORSDOF 7