REMARK Name = BDB005337 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.817 -0.847 0.503 0.00 0.00 +0.146 A ATOM 2 N LIG 1 1.032 0.169 -0.068 0.00 0.00 -0.322 N ATOM 3 C LIG 1 -0.219 -0.361 -0.164 0.00 0.00 +0.077 A ATOM 4 C LIG 1 -1.565 -0.021 -0.673 0.00 0.00 +0.161 C ATOM 5 N LIG 1 -2.269 -1.313 -0.397 0.00 0.00 -0.253 N ATOM 6 C LIG 1 -1.415 -2.302 0.158 0.00 0.00 +0.272 C ATOM 7 O LIG 1 -1.642 -3.474 0.409 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 -0.145 -1.634 0.307 0.00 0.00 +0.150 A ATOM 9 N LIG 1 1.093 -1.933 0.756 0.00 0.00 -0.222 NA ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 4.261 -0.577 -0.240 0.00 0.00 +0.147 A ATOM 11 C LIG 1 3.208 -0.654 0.774 0.00 0.00 +0.066 A ATOM 12 C LIG 1 3.544 -0.625 2.076 0.00 0.00 +0.085 A ATOM 13 C LIG 1 4.954 -0.466 2.506 0.00 0.00 +0.252 A ATOM 14 O LIG 1 5.209 -0.398 3.705 0.00 0.00 -0.268 OA ATOM 15 N LIG 1 5.896 -0.394 1.486 0.00 0.00 -0.315 N ATOM 16 C LIG 1 7.304 -0.260 1.829 0.00 0.00 +0.152 C ATOM 17 C LIG 1 5.543 -0.456 0.149 0.00 0.00 +0.135 A BRANCH 10 19 ATOM 18 C LIG 1 4.762 -0.715 -2.581 0.00 0.00 +0.277 C ATOM 19 O LIG 1 3.799 -0.642 -1.537 0.00 0.00 -0.493 OA ENDBRANCH 10 19 ENDBRANCH 1 11 BRANCH 5 20 ATOM 20 C LIG 1 -3.623 -1.534 -0.777 0.00 0.00 +0.042 A ATOM 21 C LIG 1 -4.537 -2.265 0.015 0.00 0.00 -0.029 A ATOM 22 C LIG 1 -4.233 -2.797 1.391 0.00 0.00 +0.045 C ATOM 23 C LIG 1 -5.846 -2.484 -0.463 0.00 0.00 +0.006 A ATOM 24 C LIG 1 -6.272 -1.946 -1.675 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -5.390 -1.184 -2.424 0.00 0.00 +0.043 A ATOM 26 CL LIG 1 -5.904 -0.498 -3.917 0.00 0.00 -0.083 Cl ATOM 27 C LIG 1 -4.082 -0.976 -1.984 0.00 0.00 +0.043 A ENDBRANCH 5 20 BRANCH 4 28 ATOM 28 C LIG 1 -2.233 1.143 0.036 0.00 0.00 -0.021 A ATOM 29 C LIG 1 -2.388 1.163 1.435 0.00 0.00 +0.007 A ATOM 30 C LIG 1 -3.021 2.235 2.069 0.00 0.00 +0.020 A ATOM 31 C LIG 1 -3.512 3.294 1.312 0.00 0.00 +0.041 A ATOM 32 CL LIG 1 -4.289 4.616 2.091 0.00 0.00 -0.084 Cl ATOM 33 C LIG 1 -3.378 3.290 -0.075 0.00 0.00 +0.020 A ATOM 34 C LIG 1 -2.745 2.218 -0.710 0.00 0.00 +0.007 A ENDBRANCH 4 28 BRANCH 2 35 ATOM 35 C LIG 1 1.477 1.505 -0.456 0.00 0.00 +0.083 C ATOM 36 C LIG 1 1.058 1.889 -1.875 0.00 0.00 +0.030 C ATOM 37 C LIG 1 1.075 2.567 0.566 0.00 0.00 +0.030 C ENDBRANCH 2 35 TORSDOF 5