REMARK Name = BDB010285 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.600 -0.321 1.401 0.00 0.00 +0.202 A ATOM 2 N LIG 1 0.499 -0.648 0.635 0.00 0.00 -0.303 N ATOM 3 C LIG 1 -0.558 -0.856 1.495 0.00 0.00 +0.130 A ATOM 4 C LIG 1 -0.022 -0.581 2.745 0.00 0.00 +0.185 A ATOM 5 N LIG 1 -0.707 -0.648 3.896 0.00 0.00 -0.200 NA ATOM 6 C LIG 1 -1.976 -1.031 3.713 0.00 0.00 +0.242 A ATOM 7 N LIG 1 -2.582 -1.322 2.541 0.00 0.00 -0.205 NA ATOM 8 C LIG 1 -1.894 -1.232 1.385 0.00 0.00 +0.149 A ATOM 9 N LIG 1 1.294 -0.233 2.671 0.00 0.00 -0.194 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -2.850 -1.141 4.936 0.00 0.00 +0.375 C ATOM 11 O LIG 1 -4.034 -1.438 4.966 0.00 0.00 -0.242 OA BRANCH 10 12 ATOM 12 O LIG 1 -2.200 -0.867 6.091 0.00 0.00 -0.475 OA ATOM 13 H LIG 1 -2.884 -0.981 6.781 0.00 0.00 +0.296 HD ENDBRANCH 10 12 ENDBRANCH 6 10 BRANCH 8 14 ATOM 14 N LIG 1 -2.521 -1.535 0.185 0.00 0.00 -0.324 N ATOM 15 H LIG 1 -2.072 -1.129 -0.622 0.00 0.00 +0.148 HD BRANCH 14 16 ATOM 16 C LIG 1 -3.983 -1.445 0.123 0.00 0.00 +0.072 C ATOM 17 C LIG 1 -4.451 -2.408 -0.972 0.00 0.00 +0.028 C BRANCH 16 18 ATOM 18 C LIG 1 -4.422 -0.024 -0.241 0.00 0.00 +0.009 C ATOM 19 C LIG 1 -4.286 1.084 0.844 0.00 0.00 +0.005 C ATOM 20 C LIG 1 -5.576 1.701 0.268 0.00 0.00 +0.001 C ATOM 21 C LIG 1 -5.947 0.282 -0.210 0.00 0.00 +0.005 C ENDBRANCH 16 18 ENDBRANCH 14 16 ENDBRANCH 8 14 BRANCH 1 22 ATOM 22 N LIG 1 2.824 -0.121 0.836 0.00 0.00 -0.293 N BRANCH 22 23 ATOM 23 C LIG 1 3.732 -1.306 1.000 0.00 0.00 +0.122 C ATOM 24 C LIG 1 4.644 -1.205 2.229 0.00 0.00 +0.035 C BRANCH 23 25 ATOM 25 C LIG 1 4.427 -1.666 -0.320 0.00 0.00 +0.061 A ATOM 26 N LIG 1 3.628 -2.180 -1.301 0.00 0.00 -0.258 NA ATOM 27 C LIG 1 4.204 -2.530 -2.472 0.00 0.00 +0.111 A ATOM 28 C LIG 1 5.555 -2.404 -2.733 0.00 0.00 +0.020 A ATOM 29 C LIG 1 6.366 -1.890 -1.733 0.00 0.00 +0.003 A ATOM 30 C LIG 1 5.801 -1.520 -0.513 0.00 0.00 +0.025 A ENDBRANCH 23 25 ENDBRANCH 22 23 BRANCH 22 31 ATOM 31 C LIG 1 3.368 1.225 1.098 0.00 0.00 +0.108 C BRANCH 31 33 ATOM 32 C LIG 1 4.642 3.165 0.119 0.00 0.00 +0.005 C ATOM 33 C LIG 1 4.311 1.686 -0.011 0.00 0.00 +0.016 C ENDBRANCH 31 33 ENDBRANCH 22 31 ENDBRANCH 1 22 BRANCH 2 34 ATOM 34 C LIG 1 0.506 -0.757 -0.818 0.00 0.00 +0.160 C BRANCH 34 35 ATOM 35 C LIG 1 -0.309 0.314 -1.517 0.00 0.00 -0.028 A ATOM 36 C LIG 1 -0.948 -0.002 -2.728 0.00 0.00 +0.006 A ATOM 37 C LIG 1 -1.712 0.953 -3.402 0.00 0.00 +0.013 A ATOM 38 C LIG 1 -1.839 2.253 -2.894 0.00 0.00 +0.055 A ATOM 39 C LIG 1 -1.178 2.579 -1.702 0.00 0.00 +0.013 A ATOM 40 C LIG 1 -0.411 1.624 -1.029 0.00 0.00 +0.006 A BRANCH 38 41 ATOM 41 C LIG 1 -2.697 3.269 -3.606 0.00 0.00 +0.417 C ATOM 42 F LIG 1 -4.021 3.109 -3.330 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -2.588 3.197 -4.962 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -2.399 4.557 -3.278 0.00 0.00 -0.166 F ENDBRANCH 38 41 ENDBRANCH 34 35 ENDBRANCH 2 34 TORSDOF 13