REMARK Name = BDB065063 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.200 0.257 0.405 0.00 0.00 +0.017 A ATOM 2 C LIG 1 1.102 -0.447 -0.102 0.00 0.00 +0.012 A ATOM 3 C LIG 1 -0.057 -0.598 0.664 0.00 0.00 +0.006 A ATOM 4 C LIG 1 -0.144 -0.041 1.947 0.00 0.00 -0.028 A ATOM 5 C LIG 1 0.951 0.682 2.443 0.00 0.00 +0.006 A ATOM 6 C LIG 1 2.110 0.833 1.676 0.00 0.00 +0.012 A ENDROOT BRANCH 1 8 ATOM 7 N LIG 1 4.238 -0.581 -0.842 0.00 0.00 -0.327 N ATOM 8 C LIG 1 3.418 0.433 -0.385 0.00 0.00 +0.142 A ATOM 9 N LIG 1 3.913 1.606 -0.738 0.00 0.00 -0.224 NA ATOM 10 C LIG 1 5.047 1.360 -1.495 0.00 0.00 +0.162 A ATOM 11 C LIG 1 5.248 -0.005 -1.571 0.00 0.00 +0.120 A BRANCH 10 12 ATOM 12 C LIG 1 5.867 2.465 -2.095 0.00 0.00 +0.436 C ATOM 13 F LIG 1 6.931 1.980 -2.796 0.00 0.00 -0.164 F ATOM 14 F LIG 1 5.155 3.230 -2.963 0.00 0.00 -0.164 F ATOM 15 F LIG 1 6.379 3.301 -1.153 0.00 0.00 -0.164 F ENDBRANCH 10 12 BRANCH 7 17 ATOM 16 C LIG 1 3.776 -2.787 -1.851 0.00 0.00 +0.030 C ATOM 17 C LIG 1 4.107 -2.013 -0.576 0.00 0.00 +0.083 C ATOM 18 C LIG 1 5.352 -2.580 0.111 0.00 0.00 +0.030 C ENDBRANCH 7 17 ENDBRANCH 1 8 BRANCH 4 19 ATOM 19 C LIG 1 -1.412 -0.173 2.766 0.00 0.00 +0.162 C BRANCH 19 20 ATOM 20 N LIG 1 -2.276 0.996 2.649 0.00 0.00 -0.288 N ATOM 21 C LIG 1 -3.200 1.059 1.572 0.00 0.00 +0.148 A ATOM 22 C LIG 1 -3.957 2.211 1.413 0.00 0.00 +0.036 A ATOM 23 C LIG 1 -4.828 2.212 0.344 0.00 0.00 +0.124 A ATOM 24 N LIG 1 -4.967 1.179 -0.510 0.00 0.00 -0.234 NA ATOM 25 C LIG 1 -4.198 0.112 -0.261 0.00 0.00 +0.180 A ATOM 26 C LIG 1 -3.827 3.333 2.328 0.00 0.00 +0.018 A ATOM 27 C LIG 1 -2.963 3.242 3.343 0.00 0.00 +0.071 A ATOM 28 N LIG 1 -3.322 -0.002 0.749 0.00 0.00 -0.208 NA ATOM 29 C LIG 1 -2.127 2.033 3.554 0.00 0.00 +0.253 A ATOM 30 O LIG 1 -1.360 2.020 4.514 0.00 0.00 -0.268 OA BRANCH 25 31 ATOM 31 C LIG 1 -4.321 -1.046 -1.130 0.00 0.00 +0.105 A ATOM 32 N LIG 1 -4.986 -1.093 -2.336 0.00 0.00 -0.264 N ATOM 33 C LIG 1 -5.681 -0.026 -3.019 0.00 0.00 +0.173 C ATOM 34 N LIG 1 -4.940 -2.307 -2.931 0.00 0.00 -0.179 NA ATOM 35 C LIG 1 -4.228 -3.052 -2.090 0.00 0.00 +0.135 A ATOM 36 C LIG 1 -3.814 -2.327 -0.964 0.00 0.00 +0.052 A ENDBRANCH 25 31 ENDBRANCH 19 20 ENDBRANCH 4 19 TORSDOF 6