REMARK Name = BDB005530 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.904 -0.121 0.437 0.00 0.00 -0.320 N ATOM 2 C LIG 1 -0.345 0.388 0.629 0.00 0.00 +0.077 A ATOM 3 C LIG 1 -1.683 -0.052 1.067 0.00 0.00 +0.161 C ATOM 4 N LIG 1 -2.432 1.223 0.886 0.00 0.00 -0.248 N ATOM 5 C LIG 1 -1.602 2.302 0.464 0.00 0.00 +0.272 C ATOM 6 O LIG 1 -1.873 3.487 0.368 0.00 0.00 -0.268 OA ATOM 7 C LIG 1 -0.302 1.700 0.287 0.00 0.00 +0.150 A ATOM 8 N LIG 1 0.937 2.064 -0.109 0.00 0.00 -0.222 NA ATOM 9 C LIG 1 1.679 0.961 0.006 0.00 0.00 +0.149 A ENDROOT BRANCH 4 10 ATOM 10 C LIG 1 -3.790 1.361 1.137 0.00 0.00 +0.104 A ATOM 11 C LIG 1 -4.627 2.245 0.221 0.00 0.00 +0.273 A ATOM 12 O LIG 1 -4.194 2.618 -0.868 0.00 0.00 -0.266 OA ATOM 13 N LIG 1 -5.935 2.504 0.647 0.00 0.00 -0.315 N ATOM 14 C LIG 1 -6.764 3.384 -0.160 0.00 0.00 +0.152 C ATOM 15 C LIG 1 -6.517 1.808 1.692 0.00 0.00 +0.108 A ATOM 16 C LIG 1 -5.823 0.906 2.394 0.00 0.00 +0.059 A ATOM 17 CL LIG 1 -6.553 0.017 3.674 0.00 0.00 -0.082 Cl ATOM 18 C LIG 1 -4.426 0.690 2.115 0.00 0.00 +0.050 A ENDBRANCH 4 10 BRANCH 3 19 ATOM 19 C LIG 1 -2.246 -1.196 0.243 0.00 0.00 -0.021 A ATOM 20 C LIG 1 -2.527 -1.047 -1.128 0.00 0.00 +0.007 A ATOM 21 C LIG 1 -3.031 -2.115 -1.874 0.00 0.00 +0.020 A ATOM 22 C LIG 1 -3.259 -3.342 -1.258 0.00 0.00 +0.041 A ATOM 23 CL LIG 1 -3.873 -4.661 -2.175 0.00 0.00 -0.084 Cl ATOM 24 C LIG 1 -2.991 -3.510 0.099 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -2.488 -2.442 0.847 0.00 0.00 +0.007 A ENDBRANCH 3 19 BRANCH 9 26 ATOM 26 C LIG 1 3.096 0.946 -0.318 0.00 0.00 +0.097 A ATOM 27 C LIG 1 4.111 1.033 0.619 0.00 0.00 +0.231 A ATOM 28 N LIG 1 5.424 1.051 0.309 0.00 0.00 -0.159 NA ATOM 29 C LIG 1 5.719 1.024 -0.997 0.00 0.00 +0.321 A ATOM 30 N LIG 1 4.827 0.982 -1.999 0.00 0.00 -0.202 NA ATOM 31 C LIG 1 3.529 0.956 -1.627 0.00 0.00 +0.133 A BRANCH 27 32 ATOM 32 O LIG 1 3.745 1.078 1.954 0.00 0.00 -0.479 OA ATOM 33 C LIG 1 4.839 1.330 2.831 0.00 0.00 +0.279 C ENDBRANCH 27 32 BRANCH 29 34 ATOM 34 O LIG 1 7.068 1.040 -1.277 0.00 0.00 -0.466 OA ATOM 35 C LIG 1 7.345 1.082 -2.670 0.00 0.00 +0.280 C ENDBRANCH 29 34 ENDBRANCH 9 26 BRANCH 1 36 ATOM 36 C LIG 1 1.247 -1.536 0.573 0.00 0.00 +0.112 C ATOM 37 C LIG 1 2.445 -1.829 1.473 0.00 0.00 +0.033 C BRANCH 36 38 ATOM 38 C LIG 1 1.323 -2.248 -0.789 0.00 0.00 +0.184 C BRANCH 38 40 ATOM 39 C LIG 1 2.658 -2.619 -2.701 0.00 0.00 +0.194 C ATOM 40 O LIG 1 2.567 -1.984 -1.432 0.00 0.00 -0.381 OA ENDBRANCH 38 40 ENDBRANCH 36 38 ENDBRANCH 1 36 TORSDOF 8