REMARK Name = BDB056707 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.663 0.811 1.122 0.00 0.00 +0.234 C ATOM 2 N LIG 1 1.349 0.134 0.127 0.00 0.00 -0.268 N ATOM 3 C LIG 1 2.733 -0.107 0.106 0.00 0.00 +0.058 A ATOM 4 C LIG 1 3.098 -0.824 -1.027 0.00 0.00 +0.070 A ATOM 5 N LIG 1 4.353 -1.209 -1.329 0.00 0.00 -0.257 NA ATOM 6 C LIG 1 5.296 -0.844 -0.427 0.00 0.00 +0.115 A ATOM 7 C LIG 1 5.036 -0.129 0.748 0.00 0.00 -0.023 A ATOM 8 C LIG 1 1.902 -1.101 -1.913 0.00 0.00 +0.025 C ATOM 9 C LIG 1 1.724 -2.602 -2.156 0.00 0.00 +0.019 C ATOM 10 C LIG 1 2.030 -0.348 -3.240 0.00 0.00 +0.019 C ATOM 11 C LIG 1 3.712 0.252 1.012 0.00 0.00 +0.030 A ATOM 12 C LIG 1 0.751 -0.528 -1.049 0.00 0.00 +0.126 C ATOM 13 O LIG 1 1.199 1.313 2.115 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 14 ATOM 14 C LIG 1 -0.860 0.932 0.952 0.00 0.00 +0.181 C BRANCH 14 21 ATOM 15 C LIG 1 -1.938 0.893 4.343 0.00 0.00 +0.025 C ATOM 16 C LIG 1 -2.383 -0.403 3.658 0.00 0.00 +0.065 C ATOM 17 N LIG 1 -3.781 -0.258 3.194 0.00 0.00 -0.311 NA ATOM 18 H LIG 1 -4.009 0.738 3.132 0.00 0.00 +0.122 HD ATOM 19 C LIG 1 -3.962 -0.852 1.862 0.00 0.00 +0.101 C ATOM 20 C LIG 1 -2.988 -0.249 0.813 0.00 0.00 +0.088 C ATOM 21 N LIG 1 -1.552 -0.352 1.197 0.00 0.00 -0.287 NA ATOM 22 C LIG 1 -1.374 -0.868 2.567 0.00 0.00 +0.103 C BRANCH 20 23 ATOM 23 C LIG 1 -3.181 -0.936 -0.562 0.00 0.00 +0.128 C BRANCH 23 24 ATOM 24 N LIG 1 -4.463 -0.656 -1.182 0.00 0.00 -0.292 N ATOM 25 C LIG 1 -4.815 0.577 -1.703 0.00 0.00 +0.247 C ATOM 26 O LIG 1 -4.158 1.601 -1.711 0.00 0.00 -0.270 OA ATOM 27 C LIG 1 -6.168 0.425 -2.251 0.00 0.00 +0.042 A ATOM 28 C LIG 1 -6.575 -0.895 -2.047 0.00 0.00 -0.018 A ATOM 29 C LIG 1 -7.824 -1.312 -2.473 0.00 0.00 +0.006 A ATOM 30 C LIG 1 -8.651 -0.375 -3.105 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -8.226 0.954 -3.302 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -6.965 1.369 -2.871 0.00 0.00 +0.013 A ATOM 33 C LIG 1 -5.498 -1.663 -1.356 0.00 0.00 +0.144 C ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 14 21 ENDBRANCH 1 14 BRANCH 7 34 ATOM 34 C LIG 1 6.149 0.225 1.699 0.00 0.00 +0.071 C BRANCH 34 35 ATOM 35 C LIG 1 7.096 1.278 1.167 0.00 0.00 -0.043 A ATOM 36 C LIG 1 6.676 2.613 1.037 0.00 0.00 +0.007 A ATOM 37 C LIG 1 7.551 3.583 0.548 0.00 0.00 +0.038 A ATOM 38 C LIG 1 8.843 3.222 0.185 0.00 0.00 +0.123 A ATOM 39 F LIG 1 9.684 4.155 -0.281 0.00 0.00 -0.205 F ATOM 40 C LIG 1 9.278 1.908 0.304 0.00 0.00 +0.038 A ATOM 41 C LIG 1 8.407 0.934 0.796 0.00 0.00 +0.007 A ENDBRANCH 34 35 ENDBRANCH 7 34 TORSDOF 6