REMARK Name = BDB035169 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.927 0.172 0.836 0.00 0.00 +0.191 A ATOM 2 N LIG 1 -2.747 -0.271 0.382 0.00 0.00 -0.143 NA ATOM 3 N LIG 1 -1.895 0.711 0.764 0.00 0.00 -0.200 N ATOM 4 C LIG 1 -2.610 1.725 1.414 0.00 0.00 +0.254 A ATOM 5 N LIG 1 -1.998 2.847 1.893 0.00 0.00 -0.219 NA ATOM 6 C LIG 1 -0.715 2.907 1.714 0.00 0.00 +0.116 A ATOM 7 C LIG 1 0.132 1.883 1.043 0.00 0.00 +0.043 A ATOM 8 C LIG 1 -0.506 0.790 0.577 0.00 0.00 +0.052 A ATOM 9 N LIG 1 -3.880 1.393 1.454 0.00 0.00 -0.189 NA ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 -5.908 -1.004 1.737 0.00 0.00 +0.229 A ATOM 11 C LIG 1 -5.168 -0.546 0.658 0.00 0.00 +0.104 A ATOM 12 C LIG 1 -5.693 -0.810 -0.605 0.00 0.00 +0.062 A ATOM 13 N LIG 1 -6.859 -1.496 -0.748 0.00 0.00 -0.239 NA ATOM 14 C LIG 1 -7.485 -1.891 0.368 0.00 0.00 +0.225 A ATOM 15 N LIG 1 -7.068 -1.682 1.618 0.00 0.00 -0.201 NA BRANCH 12 16 ATOM 16 C LIG 1 -5.008 -0.357 -1.884 0.00 0.00 +0.039 C ATOM 17 C LIG 1 -5.828 0.178 -3.038 0.00 0.00 +0.010 C ATOM 18 C LIG 1 -4.970 1.113 -2.242 0.00 0.00 +0.010 C ENDBRANCH 12 16 BRANCH 10 20 ATOM 19 C LIG 1 -6.298 -1.152 4.051 0.00 0.00 +0.279 C ATOM 20 O LIG 1 -5.397 -0.799 3.007 0.00 0.00 -0.479 OA ENDBRANCH 10 20 ENDBRANCH 1 11 BRANCH 8 21 ATOM 21 C LIG 1 0.140 -0.374 -0.138 0.00 0.00 +0.090 C BRANCH 21 22 ATOM 22 C LIG 1 1.643 -0.298 -0.298 0.00 0.00 -0.042 A ATOM 23 C LIG 1 2.491 -0.814 0.691 0.00 0.00 +0.005 A ATOM 24 C LIG 1 3.879 -0.709 0.561 0.00 0.00 +0.012 A ATOM 25 C LIG 1 4.443 -0.091 -0.562 0.00 0.00 +0.017 A ATOM 26 C LIG 1 3.594 0.442 -1.539 0.00 0.00 +0.012 A ATOM 27 C LIG 1 2.206 0.336 -1.414 0.00 0.00 +0.005 A BRANCH 25 28 ATOM 28 C LIG 1 5.891 0.047 -0.719 0.00 0.00 +0.141 A ATOM 29 N LIG 1 6.811 -0.978 -0.644 0.00 0.00 -0.333 N ATOM 30 C LIG 1 6.534 -2.384 -0.467 0.00 0.00 +0.150 C ATOM 31 C LIG 1 8.059 -0.449 -0.836 0.00 0.00 +0.119 A ATOM 32 C LIG 1 7.867 0.902 -1.060 0.00 0.00 +0.162 A ATOM 33 N LIG 1 6.509 1.181 -0.998 0.00 0.00 -0.224 NA BRANCH 32 34 ATOM 34 C LIG 1 8.893 1.962 -1.341 0.00 0.00 +0.436 C ATOM 35 F LIG 1 10.153 1.446 -1.392 0.00 0.00 -0.164 F ATOM 36 F LIG 1 8.914 2.928 -0.386 0.00 0.00 -0.164 F ATOM 37 F LIG 1 8.685 2.583 -2.532 0.00 0.00 -0.164 F ENDBRANCH 32 34 ENDBRANCH 25 28 ENDBRANCH 21 22 ENDBRANCH 8 21 TORSDOF 7