REMARK Name = BDB035841 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.543 -1.188 0.451 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.615 -1.971 0.537 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.772 -3.178 0.547 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.753 -1.046 0.613 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -3.101 -1.343 0.706 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -4.005 -0.274 0.761 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -3.517 1.056 0.712 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -2.142 1.340 0.616 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -1.270 0.256 0.570 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.220 0.233 0.466 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 4.313 -1.170 0.183 0.00 0.00 -0.032 A ATOM 12 C LIG 1 2.959 -0.762 0.256 0.00 0.00 +0.028 A ATOM 13 C LIG 1 1.882 -1.664 0.379 0.00 0.00 +0.037 A ATOM 14 C LIG 1 2.182 -3.026 0.428 0.00 0.00 +0.023 A ATOM 15 C LIG 1 3.502 -3.471 0.364 0.00 0.00 +0.002 A ATOM 16 C LIG 1 4.545 -2.557 0.247 0.00 0.00 +0.005 A BRANCH 11 19 ATOM 17 C LIG 1 6.679 1.429 1.009 0.00 0.00 +0.120 C ATOM 18 C LIG 1 5.308 1.384 0.298 0.00 0.00 +0.051 C ATOM 19 C LIG 1 5.536 -0.141 0.029 0.00 0.00 +0.060 C ATOM 20 C LIG 1 6.526 -0.089 1.245 0.00 0.00 +0.051 C BRANCH 19 21 ATOM 21 C LIG 1 6.277 -0.381 -1.360 0.00 0.00 +0.144 A ATOM 22 N LIG 1 5.734 -0.361 -2.616 0.00 0.00 -0.320 N ATOM 23 C LIG 1 4.367 -0.124 -2.990 0.00 0.00 +0.151 C ATOM 24 C LIG 1 6.760 -0.617 -3.473 0.00 0.00 +0.224 A ATOM 25 N LIG 1 7.870 -0.779 -2.792 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 7.567 -0.632 -1.460 0.00 0.00 -0.134 NA ENDBRANCH 19 21 BRANCH 17 28 ATOM 27 C LIG 1 7.965 2.268 2.883 0.00 0.00 +0.194 C ATOM 28 O LIG 1 6.725 2.261 2.187 0.00 0.00 -0.380 OA ENDBRANCH 17 28 ENDBRANCH 11 19 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 -1.625 2.752 0.557 0.00 0.00 +0.418 C ATOM 30 F LIG 1 -0.924 2.992 -0.585 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -0.767 3.025 1.579 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -2.596 3.701 0.614 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 -5.493 -0.530 0.849 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 -6.145 -0.171 -0.412 0.00 0.00 -0.309 NA ATOM 35 H LIG 1 -5.721 -0.724 -1.158 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 -7.590 -0.359 -0.294 0.00 0.00 +0.060 C ATOM 37 C LIG 1 -8.236 0.897 0.329 0.00 0.00 +0.059 C ATOM 38 C LIG 1 -9.291 0.850 -0.811 0.00 0.00 +0.112 C ATOM 39 F LIG 1 -9.620 2.055 -1.334 0.00 0.00 -0.242 F ATOM 40 C LIG 1 -10.573 0.101 -0.476 0.00 0.00 +0.047 C ATOM 41 C LIG 1 -8.249 0.042 -1.632 0.00 0.00 +0.059 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 8