REMARK Name = BDB011392 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.920 -0.922 -1.007 0.00 0.00 +0.057 A ATOM 2 N LIG 1 1.167 -0.785 0.170 0.00 0.00 -0.338 N ATOM 3 C LIG 1 -0.148 -0.796 -0.196 0.00 0.00 +0.057 A ATOM 4 C LIG 1 -1.480 -0.697 0.458 0.00 0.00 +0.159 C ATOM 5 N LIG 1 -2.373 -0.953 -0.727 0.00 0.00 -0.253 N ATOM 6 C LIG 1 -1.624 -1.082 -1.932 0.00 0.00 +0.254 C ATOM 7 O LIG 1 -2.004 -1.267 -3.075 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -0.245 -0.996 -1.541 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.037 -1.066 -2.075 0.00 0.00 +0.041 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.764 -1.069 -0.644 0.00 0.00 +0.055 A ATOM 11 C LIG 1 -4.575 -1.038 -1.721 0.00 0.00 +0.112 A ATOM 12 N LIG 1 -5.958 -1.126 -1.632 0.00 0.00 -0.315 N ATOM 13 C LIG 1 -6.732 -1.055 -2.864 0.00 0.00 +0.152 C ATOM 14 C LIG 1 -6.629 -1.238 -0.413 0.00 0.00 +0.270 A ATOM 15 O LIG 1 -7.851 -1.280 -0.304 0.00 0.00 -0.266 OA ATOM 16 C LIG 1 -5.738 -1.312 0.785 0.00 0.00 +0.107 A ATOM 17 CL LIG 1 -6.461 -1.522 2.335 0.00 0.00 -0.078 Cl ATOM 18 C LIG 1 -4.406 -1.238 0.651 0.00 0.00 +0.050 A ENDBRANCH 5 10 BRANCH 4 19 ATOM 19 C LIG 1 -1.743 0.665 1.085 0.00 0.00 -0.018 A ATOM 20 C LIG 1 -1.670 1.849 0.329 0.00 0.00 +0.045 A ATOM 21 C LIG 1 -1.922 3.086 0.921 0.00 0.00 +0.141 A ATOM 22 F LIG 1 -1.835 4.189 0.164 0.00 0.00 -0.204 F ATOM 23 C LIG 1 -2.254 3.179 2.268 0.00 0.00 +0.087 A ATOM 24 C LIG 1 -2.335 2.011 3.034 0.00 0.00 +0.022 A ATOM 25 C LIG 1 -2.080 0.766 2.447 0.00 0.00 +0.007 A BRANCH 23 26 ATOM 26 C LIG 1 -2.504 4.454 2.865 0.00 0.00 +0.102 C ATOM 27 N LIG 1 -2.707 5.471 3.385 0.00 0.00 -0.191 NA ENDBRANCH 23 26 ENDBRANCH 4 19 BRANCH 1 31 ATOM 28 C LIG 1 6.086 -1.050 -1.178 0.00 0.00 +0.321 A ATOM 29 N LIG 1 5.528 0.165 -1.063 0.00 0.00 -0.159 NA ATOM 30 C LIG 1 4.181 0.192 -1.020 0.00 0.00 +0.230 A ATOM 31 C LIG 1 3.381 -0.939 -1.067 0.00 0.00 +0.078 A ATOM 32 C LIG 1 4.076 -2.125 -1.194 0.00 0.00 +0.131 A ATOM 33 N LIG 1 5.420 -2.210 -1.243 0.00 0.00 -0.202 NA BRANCH 28 35 ATOM 34 C LIG 1 8.133 0.075 -1.224 0.00 0.00 +0.280 C ATOM 35 O LIG 1 7.457 -1.175 -1.224 0.00 0.00 -0.466 OA ENDBRANCH 28 35 BRANCH 30 36 ATOM 36 O LIG 1 3.544 1.416 -0.908 0.00 0.00 -0.479 OA ATOM 37 C LIG 1 4.429 2.529 -0.969 0.00 0.00 +0.279 C ENDBRANCH 30 36 ENDBRANCH 1 31 BRANCH 2 38 ATOM 38 C LIG 1 1.734 -0.718 1.519 0.00 0.00 +0.081 C ATOM 39 C LIG 1 1.754 0.703 2.078 0.00 0.00 +0.030 C ATOM 40 C LIG 1 1.085 -1.700 2.496 0.00 0.00 +0.030 C ENDBRANCH 2 38 TORSDOF 7