REMARK Name = BDB010959 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.546 -0.148 0.498 0.00 0.00 -0.251 N ATOM 2 C LIG 1 0.616 0.624 0.559 0.00 0.00 +0.267 A ATOM 3 O LIG 1 0.724 1.825 0.318 0.00 0.00 -0.267 OA ATOM 4 C LIG 1 1.868 -0.102 0.878 0.00 0.00 +0.066 A ATOM 5 C LIG 1 1.816 -1.488 1.034 0.00 0.00 +0.090 A ATOM 6 C LIG 1 2.997 -2.190 1.317 0.00 0.00 +0.081 A ATOM 7 C LIG 1 4.210 -1.483 1.437 0.00 0.00 +0.019 A ATOM 8 C LIG 1 4.263 -0.091 1.277 0.00 0.00 -0.032 A ATOM 9 N LIG 1 0.608 -2.182 0.924 0.00 0.00 -0.236 NA ATOM 10 C LIG 1 3.079 0.596 0.998 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -0.469 -1.509 0.684 0.00 0.00 +0.209 A ENDROOT BRANCH 1 14 ATOM 12 C LIG 1 -4.133 0.412 -0.510 0.00 0.00 -0.029 A ATOM 13 C LIG 1 -2.880 -0.201 -0.302 0.00 0.00 +0.051 A ATOM 14 C LIG 1 -1.806 0.491 0.256 0.00 0.00 +0.142 A ATOM 15 N LIG 1 -1.952 1.786 0.602 0.00 0.00 -0.234 NA ATOM 16 C LIG 1 -3.125 2.435 0.415 0.00 0.00 +0.047 A ATOM 17 C LIG 1 -4.217 1.758 -0.127 0.00 0.00 +0.028 A BRANCH 12 21 ATOM 18 C LIG 1 -7.592 -1.669 -3.031 0.00 0.00 +0.007 C ATOM 19 C LIG 1 -6.563 -0.552 -2.976 0.00 0.00 -0.012 C ATOM 20 C LIG 1 -6.590 0.354 -1.727 0.00 0.00 +0.022 C ATOM 21 C LIG 1 -5.358 -0.414 -1.142 0.00 0.00 +0.056 C ATOM 22 C LIG 1 -5.122 -0.951 -2.600 0.00 0.00 +0.022 C BRANCH 21 23 ATOM 23 C LIG 1 -5.756 -1.568 -0.126 0.00 0.00 +0.144 A ATOM 24 N LIG 1 -6.490 -1.473 1.024 0.00 0.00 -0.320 N ATOM 25 C LIG 1 -7.109 -0.311 1.598 0.00 0.00 +0.151 C ATOM 26 C LIG 1 -6.509 -2.724 1.562 0.00 0.00 +0.224 A ATOM 27 N LIG 1 -5.817 -3.539 0.802 0.00 0.00 -0.138 NA ATOM 28 N LIG 1 -5.333 -2.810 -0.256 0.00 0.00 -0.134 NA ENDBRANCH 21 23 ENDBRANCH 12 21 BRANCH 16 29 ATOM 29 C LIG 1 -3.163 3.892 0.831 0.00 0.00 +0.038 C ATOM 30 C LIG 1 -4.001 4.916 0.103 0.00 0.00 +0.010 C ATOM 31 C LIG 1 -4.376 4.499 1.497 0.00 0.00 +0.010 C ENDBRANCH 16 29 ENDBRANCH 1 14 BRANCH 6 32 ATOM 32 C LIG 1 2.973 -3.687 1.489 0.00 0.00 +0.419 C ATOM 33 F LIG 1 4.207 -4.207 1.765 0.00 0.00 -0.166 F ATOM 34 F LIG 1 2.550 -4.354 0.379 0.00 0.00 -0.166 F ATOM 35 F LIG 1 2.182 -4.101 2.519 0.00 0.00 -0.166 F ENDBRANCH 6 32 BRANCH 8 36 ATOM 36 C LIG 1 5.578 0.650 1.407 0.00 0.00 +0.119 C BRANCH 36 37 ATOM 37 N LIG 1 6.580 0.204 0.429 0.00 0.00 -0.298 NA ATOM 38 C LIG 1 7.910 0.727 0.746 0.00 0.00 +0.088 C ATOM 39 C LIG 1 8.985 0.009 -0.098 0.00 0.00 +0.000 C ATOM 40 C LIG 1 9.436 -1.299 0.557 0.00 0.00 +0.009 C ATOM 41 C LIG 1 8.509 -0.261 -1.538 0.00 0.00 +0.006 C ATOM 42 C LIG 1 7.374 0.677 -1.921 0.00 0.00 +0.016 C ATOM 43 C LIG 1 6.189 0.540 -0.954 0.00 0.00 +0.085 C ENDBRANCH 36 37 ENDBRANCH 8 36 TORSDOF 7