REMARK Name = BDB005510 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.919 0.242 -1.252 0.00 0.00 +0.149 A ATOM 2 N LIG 1 1.254 0.085 -0.025 0.00 0.00 -0.322 N ATOM 3 C LIG 1 -0.060 -0.073 -0.343 0.00 0.00 +0.077 A ATOM 4 C LIG 1 -1.366 -0.354 0.294 0.00 0.00 +0.161 C ATOM 5 N LIG 1 -2.222 -0.428 -0.927 0.00 0.00 -0.248 N ATOM 6 C LIG 1 -1.499 -0.244 -2.134 0.00 0.00 +0.272 C ATOM 7 O LIG 1 -1.872 -0.350 -3.291 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 -0.145 -0.004 -1.699 0.00 0.00 +0.150 A ATOM 9 N LIG 1 1.059 0.227 -2.267 0.00 0.00 -0.222 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.623 -0.690 -0.871 0.00 0.00 +0.103 A ATOM 11 C LIG 1 -4.539 -0.131 -1.766 0.00 0.00 +0.256 A ATOM 12 N LIG 1 -5.864 -0.403 -1.709 0.00 0.00 -0.109 NA ATOM 13 N LIG 1 -6.347 -1.254 -0.760 0.00 0.00 -0.151 NA ATOM 14 C LIG 1 -5.505 -1.792 0.144 0.00 0.00 +0.063 A ATOM 15 C LIG 1 -6.091 -2.706 1.174 0.00 0.00 +0.067 C ATOM 16 C LIG 1 -4.142 -1.526 0.119 0.00 0.00 +0.053 A BRANCH 11 17 ATOM 17 O LIG 1 -4.124 0.895 -2.589 0.00 0.00 -0.477 OA ATOM 18 C LIG 1 -4.966 1.057 -3.725 0.00 0.00 +0.279 C ENDBRANCH 11 17 ENDBRANCH 5 10 BRANCH 4 19 ATOM 19 C LIG 1 -1.842 0.718 1.258 0.00 0.00 -0.021 A ATOM 20 C LIG 1 -2.018 2.052 0.846 0.00 0.00 +0.007 A ATOM 21 C LIG 1 -2.470 3.023 1.744 0.00 0.00 +0.020 A ATOM 22 C LIG 1 -2.753 2.671 3.060 0.00 0.00 +0.041 A ATOM 23 CL LIG 1 -3.305 3.865 4.167 0.00 0.00 -0.084 Cl ATOM 24 C LIG 1 -2.593 1.354 3.486 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -2.143 0.382 2.589 0.00 0.00 +0.007 A ENDBRANCH 4 19 BRANCH 1 29 ATOM 26 C LIG 1 5.998 0.864 -1.833 0.00 0.00 +0.321 A ATOM 27 N LIG 1 5.646 -0.302 -1.270 0.00 0.00 -0.159 NA ATOM 28 C LIG 1 4.322 -0.498 -1.101 0.00 0.00 +0.231 A ATOM 29 C LIG 1 3.352 0.432 -1.432 0.00 0.00 +0.097 A ATOM 30 C LIG 1 3.841 1.578 -2.024 0.00 0.00 +0.133 A ATOM 31 N LIG 1 5.152 1.827 -2.218 0.00 0.00 -0.202 NA BRANCH 26 33 ATOM 32 C LIG 1 8.192 0.071 -1.726 0.00 0.00 +0.280 C ATOM 33 O LIG 1 7.329 1.155 -2.036 0.00 0.00 -0.466 OA ENDBRANCH 26 33 BRANCH 28 34 ATOM 34 O LIG 1 3.899 -1.688 -0.529 0.00 0.00 -0.479 OA ATOM 35 C LIG 1 4.932 -2.662 -0.417 0.00 0.00 +0.279 C ENDBRANCH 28 34 ENDBRANCH 1 29 BRANCH 2 36 ATOM 36 C LIG 1 1.871 0.116 1.298 0.00 0.00 +0.083 C ATOM 37 C LIG 1 1.499 -1.091 2.158 0.00 0.00 +0.030 C ATOM 38 C LIG 1 1.625 1.437 2.023 0.00 0.00 +0.030 C ENDBRANCH 2 36 TORSDOF 7