REMARK Name = BDB034583 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.250 0.330 -0.546 0.00 0.00 -0.280 N ATOM 2 H LIG 1 0.895 0.878 0.233 0.00 0.00 +0.155 HD ATOM 3 C LIG 1 0.406 -0.689 -0.940 0.00 0.00 +0.267 C ATOM 4 O LIG 1 0.635 -1.562 -1.770 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 4.704 1.660 -0.490 0.00 0.00 -0.006 A ATOM 6 C LIG 1 3.346 1.435 -0.197 0.00 0.00 +0.030 A ATOM 7 C LIG 1 2.572 0.556 -0.964 0.00 0.00 +0.034 A ATOM 8 C LIG 1 3.147 -0.060 -2.074 0.00 0.00 +0.023 A ATOM 9 C LIG 1 4.480 0.185 -2.407 0.00 0.00 +0.002 A ATOM 10 C LIG 1 5.255 1.032 -1.619 0.00 0.00 +0.007 A BRANCH 5 11 ATOM 11 C LIG 1 5.590 2.530 0.400 0.00 0.00 +0.172 C ATOM 12 F LIG 1 6.925 2.335 0.097 0.00 0.00 -0.234 F ATOM 13 C LIG 1 5.318 4.009 0.087 0.00 0.00 +0.056 C BRANCH 11 14 ATOM 14 C LIG 1 5.463 2.268 1.927 0.00 0.00 +0.274 C ATOM 15 F LIG 1 4.342 2.903 2.394 0.00 0.00 -0.233 F BRANCH 14 18 ATOM 16 C LIG 1 7.774 0.130 1.603 0.00 0.00 +0.151 C ATOM 17 N LIG 1 6.448 -0.090 2.122 0.00 0.00 -0.318 N ATOM 18 C LIG 1 5.432 0.818 2.305 0.00 0.00 +0.171 A ATOM 19 N LIG 1 4.420 0.188 2.878 0.00 0.00 -0.132 NA ATOM 20 N LIG 1 4.752 -1.139 3.016 0.00 0.00 -0.138 NA ATOM 21 C LIG 1 5.966 -1.297 2.545 0.00 0.00 +0.224 A ENDBRANCH 14 18 ENDBRANCH 11 14 ENDBRANCH 5 11 ENDBRANCH 1 7 BRANCH 3 22 ATOM 22 C LIG 1 -0.902 -0.686 -0.203 0.00 0.00 +0.126 A ATOM 23 N LIG 1 -1.136 0.394 0.598 0.00 0.00 -0.247 NA ATOM 24 C LIG 1 -2.308 0.446 1.278 0.00 0.00 +0.046 A ATOM 25 C LIG 1 -3.240 -0.593 1.159 0.00 0.00 +0.028 A ATOM 26 C LIG 1 -2.988 -1.705 0.340 0.00 0.00 -0.029 A ATOM 27 C LIG 1 -1.781 -1.749 -0.352 0.00 0.00 +0.038 A BRANCH 24 28 ATOM 28 C LIG 1 -2.530 1.663 2.158 0.00 0.00 +0.038 C ATOM 29 C LIG 1 -3.901 2.160 2.549 0.00 0.00 +0.010 C ATOM 30 C LIG 1 -3.027 1.498 3.577 0.00 0.00 +0.010 C ENDBRANCH 24 28 BRANCH 26 31 ATOM 31 C LIG 1 -3.998 -2.824 0.219 0.00 0.00 +0.119 C BRANCH 31 32 ATOM 32 N LIG 1 -4.918 -2.762 -0.908 0.00 0.00 -0.298 NA ATOM 33 C LIG 1 -5.813 -1.605 -0.962 0.00 0.00 +0.091 C ATOM 34 C LIG 1 -6.345 -1.692 -2.376 0.00 0.00 -0.015 C ATOM 35 C LIG 1 -6.870 -0.454 -3.067 0.00 0.00 +0.009 C ATOM 36 C LIG 1 -7.822 -1.533 -2.652 0.00 0.00 +0.009 C ATOM 37 C LIG 1 -5.547 -2.714 -3.136 0.00 0.00 +0.023 C ATOM 38 C LIG 1 -4.331 -2.920 -2.236 0.00 0.00 +0.085 C ENDBRANCH 31 32 ENDBRANCH 26 31 ENDBRANCH 3 22 TORSDOF 8