REMARK Name = BDB041094 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.028 -0.004 1.379 0.00 0.00 -0.324 N ATOM 2 H LIG 1 -0.397 0.865 1.697 0.00 0.00 +0.148 HD ENDROOT BRANCH 1 5 ATOM 3 C LIG 1 3.569 -0.471 0.944 0.00 0.00 +0.162 A ATOM 4 N LIG 1 2.249 -0.418 0.670 0.00 0.00 -0.211 NA ATOM 5 C LIG 1 1.407 -0.034 1.650 0.00 0.00 +0.140 A ATOM 6 C LIG 1 1.879 0.257 2.923 0.00 0.00 +0.109 A ATOM 7 C LIG 1 3.241 0.160 3.111 0.00 0.00 +0.135 A ATOM 8 N LIG 1 4.106 -0.199 2.145 0.00 0.00 -0.234 NA BRANCH 3 10 ATOM 9 C LIG 1 5.648 -0.240 -0.521 0.00 0.00 -0.034 A ATOM 10 C LIG 1 4.464 -0.923 -0.134 0.00 0.00 +0.023 A ATOM 11 C LIG 1 4.127 -2.114 -0.818 0.00 0.00 +0.012 A ATOM 12 C LIG 1 4.935 -2.641 -1.825 0.00 0.00 +0.001 A ATOM 13 C LIG 1 6.108 -1.989 -2.173 0.00 0.00 +0.000 A ATOM 14 C LIG 1 6.461 -0.804 -1.528 0.00 0.00 +0.004 A BRANCH 9 16 ATOM 15 C LIG 1 6.409 2.161 -0.924 0.00 0.00 +0.012 C ATOM 16 C LIG 1 6.069 1.084 0.115 0.00 0.00 +0.014 C ATOM 17 C LIG 1 7.241 0.877 1.077 0.00 0.00 +0.012 C ENDBRANCH 9 16 ENDBRANCH 3 10 BRANCH 6 18 ATOM 18 C LIG 1 1.034 0.635 4.005 0.00 0.00 +0.104 C ATOM 19 N LIG 1 0.370 0.966 4.898 0.00 0.00 -0.191 NA ENDBRANCH 6 18 ENDBRANCH 1 5 BRANCH 1 20 ATOM 20 C LIG 1 -0.340 -0.285 -0.006 0.00 0.00 +0.138 C BRANCH 20 21 ATOM 21 C LIG 1 -1.839 -0.151 -0.156 0.00 0.00 -0.030 A ATOM 22 C LIG 1 -2.704 -0.986 0.567 0.00 0.00 +0.006 A ATOM 23 C LIG 1 -4.090 -0.861 0.438 0.00 0.00 +0.012 A ATOM 24 C LIG 1 -4.641 0.089 -0.430 0.00 0.00 +0.017 A ATOM 25 C LIG 1 -3.777 0.934 -1.138 0.00 0.00 +0.012 A ATOM 26 C LIG 1 -2.390 0.814 -1.008 0.00 0.00 +0.006 A BRANCH 24 27 ATOM 27 C LIG 1 -6.088 0.251 -0.589 0.00 0.00 +0.141 A ATOM 28 N LIG 1 -6.994 -0.761 -0.829 0.00 0.00 -0.333 N ATOM 29 C LIG 1 -6.704 -2.159 -1.045 0.00 0.00 +0.150 C ATOM 30 C LIG 1 -8.245 -0.209 -0.905 0.00 0.00 +0.119 A ATOM 31 C LIG 1 -8.068 1.153 -0.745 0.00 0.00 +0.162 A ATOM 32 N LIG 1 -6.717 1.414 -0.569 0.00 0.00 -0.224 NA BRANCH 31 33 ATOM 33 C LIG 1 -9.102 2.241 -0.756 0.00 0.00 +0.436 C ATOM 34 F LIG 1 -10.349 1.752 -1.007 0.00 0.00 -0.164 F ATOM 35 F LIG 1 -8.860 3.178 -1.711 0.00 0.00 -0.164 F ATOM 36 F LIG 1 -9.181 2.894 0.433 0.00 0.00 -0.164 F ENDBRANCH 31 33 ENDBRANCH 24 27 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 8