REMARK Name = BDB034109 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.936 1.035 2.630 0.00 0.00 +0.247 C ATOM 2 N LIG 1 0.054 1.218 1.663 0.00 0.00 -0.297 N ATOM 3 C LIG 1 1.419 1.461 2.124 0.00 0.00 +0.111 C ATOM 4 C LIG 1 2.447 0.979 1.108 0.00 0.00 +0.063 C ATOM 5 C LIG 1 2.231 1.586 -0.287 0.00 0.00 +0.176 C ATOM 6 C LIG 1 0.872 2.284 -0.416 0.00 0.00 +0.063 C ATOM 7 C LIG 1 -0.228 1.472 0.249 0.00 0.00 +0.111 C ATOM 8 O LIG 1 -0.729 1.120 3.837 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 13 ATOM 9 C LIG 1 -3.887 -0.668 0.961 0.00 0.00 +0.027 A ATOM 10 C LIG 1 -4.958 0.129 1.434 0.00 0.00 +0.129 A ATOM 11 C LIG 1 -4.681 1.197 2.293 0.00 0.00 +0.047 A ATOM 12 C LIG 1 -3.369 1.490 2.676 0.00 0.00 +0.016 A ATOM 13 C LIG 1 -2.315 0.720 2.191 0.00 0.00 +0.038 A ATOM 14 C LIG 1 -2.571 -0.369 1.357 0.00 0.00 +0.025 A BRANCH 9 19 ATOM 15 C LIG 1 -3.390 -4.005 -2.687 0.00 0.00 +0.172 C ATOM 16 N LIG 1 -3.864 -3.274 -1.537 0.00 0.00 -0.274 N ATOM 17 N LIG 1 -4.965 -3.697 -0.895 0.00 0.00 -0.179 NA ATOM 18 C LIG 1 -5.116 -2.803 0.086 0.00 0.00 +0.143 A ATOM 19 C LIG 1 -4.108 -1.811 0.084 0.00 0.00 +0.023 A ATOM 20 C LIG 1 -3.309 -2.153 -0.989 0.00 0.00 +0.116 A ENDBRANCH 9 19 BRANCH 10 21 ATOM 21 O LIG 1 -6.204 -0.216 0.993 0.00 0.00 -0.487 OA BRANCH 21 22 ATOM 22 C LIG 1 -7.408 0.459 1.333 0.00 0.00 +0.188 C ATOM 23 C LIG 1 -7.519 1.944 0.967 0.00 0.00 +0.125 C ATOM 24 N LIG 1 -7.922 2.622 2.208 0.00 0.00 -0.312 NA ATOM 25 H LIG 1 -8.517 3.425 2.007 0.00 0.00 +0.122 HD ATOM 26 C LIG 1 -8.640 1.621 3.000 0.00 0.00 +0.084 C ATOM 27 C LIG 1 -7.836 0.351 2.792 0.00 0.00 +0.061 C ENDBRANCH 21 22 ENDBRANCH 10 21 ENDBRANCH 1 13 BRANCH 5 28 ATOM 28 O LIG 1 3.226 2.582 -0.564 0.00 0.00 -0.489 OA BRANCH 28 29 ATOM 29 C LIG 1 4.406 2.194 -1.137 0.00 0.00 +0.125 A ATOM 30 C LIG 1 4.899 0.883 -1.209 0.00 0.00 +0.069 A ATOM 31 C LIG 1 6.141 0.576 -1.801 0.00 0.00 +0.036 A ATOM 32 C LIG 1 6.867 1.654 -2.325 0.00 0.00 +0.061 A ATOM 33 C LIG 1 6.385 2.958 -2.246 0.00 0.00 +0.129 A ATOM 34 F LIG 1 7.114 3.959 -2.757 0.00 0.00 -0.205 F ATOM 35 C LIG 1 5.166 3.237 -1.653 0.00 0.00 +0.084 A BRANCH 31 36 ATOM 36 N LIG 1 6.621 -0.723 -1.875 0.00 0.00 -0.327 N ATOM 37 C LIG 1 8.069 -0.989 -1.969 0.00 0.00 +0.120 C ATOM 38 C LIG 1 8.442 -2.341 -1.318 0.00 0.00 +0.100 C ATOM 39 N LIG 1 7.719 -3.517 -1.832 0.00 0.00 -0.313 NA ATOM 40 H LIG 1 8.229 -3.914 -2.620 0.00 0.00 +0.122 HD ATOM 41 C LIG 1 6.365 -3.157 -2.290 0.00 0.00 +0.100 C ATOM 42 C LIG 1 5.760 -1.894 -1.636 0.00 0.00 +0.120 C ENDBRANCH 31 36 ENDBRANCH 28 29 ENDBRANCH 5 28 TORSDOF 7