REMARK Name = BDB005476 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.951 -0.206 0.448 0.00 0.00 -0.320 N ATOM 2 C LIG 1 -0.318 0.097 0.835 0.00 0.00 +0.077 A ATOM 3 C LIG 1 -1.706 -0.394 0.686 0.00 0.00 +0.161 C ATOM 4 N LIG 1 -2.406 0.563 1.599 0.00 0.00 -0.253 N ATOM 5 C LIG 1 -1.519 1.456 2.254 0.00 0.00 +0.272 C ATOM 6 O LIG 1 -1.742 2.276 3.128 0.00 0.00 -0.268 OA ATOM 7 C LIG 1 -0.223 1.135 1.708 0.00 0.00 +0.150 A ATOM 8 N LIG 1 1.056 1.540 1.867 0.00 0.00 -0.222 NA ATOM 9 C LIG 1 1.768 0.763 1.054 0.00 0.00 +0.149 A ENDROOT BRANCH 4 10 ATOM 10 C LIG 1 -3.801 0.472 1.868 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -4.630 1.606 2.022 0.00 0.00 -0.029 A ATOM 12 C LIG 1 -4.172 3.026 1.813 0.00 0.00 +0.045 C ATOM 13 C LIG 1 -5.992 1.429 2.341 0.00 0.00 +0.006 A ATOM 14 C LIG 1 -6.549 0.158 2.454 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -5.744 -0.953 2.252 0.00 0.00 +0.043 A ATOM 16 CL LIG 1 -6.418 -2.532 2.372 0.00 0.00 -0.083 Cl ATOM 17 C LIG 1 -4.388 -0.802 1.961 0.00 0.00 +0.043 A ENDBRANCH 4 10 BRANCH 3 18 ATOM 18 C LIG 1 -2.251 -0.323 -0.729 0.00 0.00 -0.021 A ATOM 19 C LIG 1 -2.174 0.856 -1.492 0.00 0.00 +0.007 A ATOM 20 C LIG 1 -2.698 0.906 -2.786 0.00 0.00 +0.019 A ATOM 21 C LIG 1 -3.315 -0.219 -3.337 0.00 0.00 +0.052 A ATOM 22 C LIG 1 -3.408 -1.394 -2.587 0.00 0.00 +0.019 A ATOM 23 C LIG 1 -2.882 -1.445 -1.292 0.00 0.00 +0.007 A BRANCH 21 24 ATOM 24 C LIG 1 -3.851 -0.169 -4.666 0.00 0.00 +0.099 C ATOM 25 N LIG 1 -4.282 -0.130 -5.743 0.00 0.00 -0.191 NA ENDBRANCH 21 24 ENDBRANCH 3 18 BRANCH 9 26 ATOM 26 C LIG 1 3.215 0.885 0.910 0.00 0.00 +0.097 A ATOM 27 C LIG 1 3.891 1.035 -0.289 0.00 0.00 +0.231 A ATOM 28 N LIG 1 5.233 1.128 -0.394 0.00 0.00 -0.159 NA ATOM 29 C LIG 1 5.916 1.109 0.760 0.00 0.00 +0.321 A ATOM 30 N LIG 1 5.374 0.995 1.979 0.00 0.00 -0.202 NA ATOM 31 C LIG 1 4.028 0.906 2.024 0.00 0.00 +0.133 A BRANCH 27 32 ATOM 32 O LIG 1 3.137 1.069 -1.448 0.00 0.00 -0.479 OA ATOM 33 C LIG 1 3.894 1.376 -2.616 0.00 0.00 +0.279 C ENDBRANCH 27 32 BRANCH 29 34 ATOM 34 O LIG 1 7.291 1.185 0.749 0.00 0.00 -0.466 OA ATOM 35 C LIG 1 7.826 1.432 -0.544 0.00 0.00 +0.280 C ENDBRANCH 29 34 ENDBRANCH 9 26 BRANCH 1 36 ATOM 36 C LIG 1 1.411 -1.376 -0.297 0.00 0.00 +0.112 C ATOM 37 C LIG 1 0.933 -1.390 -1.749 0.00 0.00 +0.033 C BRANCH 36 38 ATOM 38 C LIG 1 1.074 -2.686 0.438 0.00 0.00 +0.184 C BRANCH 38 40 ATOM 39 C LIG 1 2.968 -4.091 0.106 0.00 0.00 +0.194 C ATOM 40 O LIG 1 1.608 -3.835 -0.223 0.00 0.00 -0.381 OA ENDBRANCH 38 40 ENDBRANCH 36 38 ENDBRANCH 1 36 TORSDOF 9