REMARK Name = BDB035174 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.605 1.428 0.192 0.00 0.00 +0.189 A ATOM 2 N LIG 1 3.415 1.982 1.397 0.00 0.00 -0.145 NA ATOM 3 N LIG 1 2.111 1.728 1.647 0.00 0.00 -0.220 N ATOM 4 C LIG 1 1.576 0.992 0.591 0.00 0.00 +0.160 A ATOM 5 C LIG 1 0.194 0.588 0.644 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -0.510 0.966 1.743 0.00 0.00 +0.009 A ATOM 7 C LIG 1 0.070 1.738 2.831 0.00 0.00 +0.020 A ATOM 8 C LIG 1 1.360 2.096 2.757 0.00 0.00 +0.115 A ATOM 9 N LIG 1 2.503 0.787 -0.320 0.00 0.00 -0.206 NA ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 5.575 2.589 -0.784 0.00 0.00 +0.229 A ATOM 11 C LIG 1 4.873 1.426 -0.503 0.00 0.00 +0.104 A ATOM 12 C LIG 1 5.453 0.238 -0.942 0.00 0.00 +0.062 A ATOM 13 N LIG 1 6.637 0.240 -1.610 0.00 0.00 -0.239 NA ATOM 14 C LIG 1 7.226 1.424 -1.821 0.00 0.00 +0.225 A ATOM 15 N LIG 1 6.755 2.614 -1.441 0.00 0.00 -0.201 NA BRANCH 12 16 ATOM 16 C LIG 1 4.853 -1.210 -0.741 0.00 0.00 +0.039 C ATOM 17 C LIG 1 4.617 -1.725 0.712 0.00 0.00 +0.010 C ATOM 18 C LIG 1 4.947 -3.137 0.193 0.00 0.00 +0.001 C ATOM 19 C LIG 1 5.780 -2.454 -0.908 0.00 0.00 +0.010 C ENDBRANCH 12 16 BRANCH 10 21 ATOM 20 C LIG 1 5.849 4.922 -0.655 0.00 0.00 +0.279 C ATOM 21 O LIG 1 5.010 3.797 -0.418 0.00 0.00 -0.479 OA ENDBRANCH 10 21 ENDBRANCH 1 11 BRANCH 5 22 ATOM 22 C LIG 1 -0.404 -0.223 -0.500 0.00 0.00 +0.074 C BRANCH 22 23 ATOM 23 C LIG 1 -1.892 -0.491 -0.449 0.00 0.00 -0.043 A ATOM 24 C LIG 1 -2.799 0.427 -0.995 0.00 0.00 +0.004 A ATOM 25 C LIG 1 -4.175 0.185 -0.940 0.00 0.00 +0.012 A ATOM 26 C LIG 1 -4.671 -0.971 -0.323 0.00 0.00 +0.017 A ATOM 27 C LIG 1 -3.761 -1.894 0.207 0.00 0.00 +0.012 A ATOM 28 C LIG 1 -2.386 -1.656 0.152 0.00 0.00 +0.004 A BRANCH 26 29 ATOM 29 C LIG 1 -6.106 -1.258 -0.252 0.00 0.00 +0.141 A ATOM 30 N LIG 1 -7.087 -0.388 0.176 0.00 0.00 -0.333 N ATOM 31 C LIG 1 -6.902 0.942 0.707 0.00 0.00 +0.150 C ATOM 32 C LIG 1 -8.296 -1.024 0.086 0.00 0.00 +0.119 A ATOM 33 C LIG 1 -8.019 -2.301 -0.367 0.00 0.00 +0.162 A ATOM 34 N LIG 1 -6.649 -2.426 -0.551 0.00 0.00 -0.224 NA BRANCH 33 35 ATOM 35 C LIG 1 -8.972 -3.430 -0.633 0.00 0.00 +0.436 C ATOM 36 F LIG 1 -8.684 -4.537 0.101 0.00 0.00 -0.164 F ATOM 37 F LIG 1 -8.978 -3.807 -1.939 0.00 0.00 -0.164 F ATOM 38 F LIG 1 -10.255 -3.090 -0.327 0.00 0.00 -0.164 F ENDBRANCH 33 35 ENDBRANCH 26 29 ENDBRANCH 22 23 ENDBRANCH 5 22 TORSDOF 7