REMARK Name = BDB035769 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.429 -0.018 -1.420 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.853 0.521 -0.201 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.229 0.822 0.801 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.312 0.661 -0.281 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.185 1.165 0.666 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.555 1.180 0.365 0.00 0.00 -0.032 A ATOM 7 C LIG 1 4.986 0.711 -0.901 0.00 0.00 +0.017 A ATOM 8 C LIG 1 4.085 0.200 -1.856 0.00 0.00 +0.061 A ATOM 9 C LIG 1 2.736 0.184 -1.515 0.00 0.00 -0.006 A ATOM 10 C LIG 1 1.557 -0.297 -2.298 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.346 -0.162 -1.327 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -1.997 0.128 -1.015 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -0.912 -0.298 -1.797 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.195 -1.012 -2.967 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -2.510 -1.318 -3.315 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -3.563 -0.906 -2.501 0.00 0.00 +0.005 A BRANCH 11 19 ATOM 17 C LIG 1 -5.887 1.964 0.102 0.00 0.00 +0.120 C ATOM 18 C LIG 1 -4.418 1.623 0.441 0.00 0.00 +0.051 C ATOM 19 C LIG 1 -4.564 0.311 -0.401 0.00 0.00 +0.060 C ATOM 20 C LIG 1 -5.732 1.060 -1.139 0.00 0.00 +0.051 C BRANCH 19 21 ATOM 21 C LIG 1 -5.077 -0.911 0.478 0.00 0.00 +0.144 A ATOM 22 N LIG 1 -4.385 -1.614 1.427 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -3.027 -1.435 1.863 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -5.249 -2.556 1.898 0.00 0.00 +0.224 A ATOM 25 N LIG 1 -6.402 -2.442 1.284 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -6.294 -1.407 0.387 0.00 0.00 -0.134 NA ENDBRANCH 19 21 BRANCH 17 28 ATOM 27 C LIG 1 -7.487 3.676 -0.511 0.00 0.00 +0.194 C ATOM 28 O LIG 1 -6.149 3.361 -0.148 0.00 0.00 -0.380 OA ENDBRANCH 17 28 ENDBRANCH 11 19 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 4.551 -0.314 -3.191 0.00 0.00 +0.418 C ATOM 30 F LIG 1 4.220 -1.621 -3.380 0.00 0.00 -0.166 F ATOM 31 F LIG 1 3.988 0.363 -4.229 0.00 0.00 -0.166 F ATOM 32 F LIG 1 5.897 -0.235 -3.372 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 5.560 1.714 1.373 0.00 0.00 +0.119 C BRANCH 33 34 ATOM 34 N LIG 1 6.172 0.810 2.357 0.00 0.00 -0.297 NA ATOM 35 C LIG 1 5.210 0.037 3.150 0.00 0.00 +0.093 C ATOM 36 C LIG 1 5.597 -1.143 2.348 0.00 0.00 -0.004 C ATOM 37 C LIG 1 4.689 -2.092 1.632 0.00 0.00 +0.010 C ATOM 38 C LIG 1 5.551 -2.577 2.768 0.00 0.00 +0.010 C ATOM 39 C LIG 1 6.753 -0.411 1.790 0.00 0.00 +0.093 C ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 7