REMARK Name = BDB038556 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.724 1.825 0.290 0.00 0.00 +0.121 A ATOM 2 N LIG 1 -1.384 1.724 0.324 0.00 0.00 -0.217 NA ATOM 3 C LIG 1 -0.794 0.577 -0.088 0.00 0.00 +0.131 A ATOM 4 C LIG 1 -1.539 -0.499 -0.548 0.00 0.00 +0.052 A ATOM 5 C LIG 1 -2.934 -0.405 -0.611 0.00 0.00 -0.011 A ATOM 6 C LIG 1 -3.520 0.792 -0.193 0.00 0.00 +0.052 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 0.611 0.543 -0.024 0.00 0.00 -0.248 N ATOM 8 C LIG 1 1.460 -0.472 -0.441 0.00 0.00 +0.253 C ATOM 9 O LIG 1 1.225 -1.546 -0.964 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 2.826 -0.017 -0.149 0.00 0.00 +0.044 A ATOM 11 C LIG 1 4.023 -0.677 -0.373 0.00 0.00 +0.036 A ATOM 12 C LIG 1 5.229 -0.057 -0.018 0.00 0.00 +0.031 A ATOM 13 C LIG 1 5.144 1.237 0.556 0.00 0.00 +0.035 A ATOM 14 C LIG 1 3.922 1.908 0.783 0.00 0.00 +0.062 A ATOM 15 C LIG 1 2.760 1.248 0.416 0.00 0.00 -0.006 A ATOM 16 C LIG 1 1.332 1.680 0.520 0.00 0.00 +0.151 C BRANCH 12 17 ATOM 17 N LIG 1 6.443 -0.672 -0.220 0.00 0.00 -0.330 N ATOM 18 C LIG 1 7.723 -0.170 0.276 0.00 0.00 +0.105 C ATOM 19 C LIG 1 8.676 -1.350 0.105 0.00 0.00 +0.020 C ATOM 20 C LIG 1 8.114 -2.074 -1.105 0.00 0.00 +0.020 C ATOM 21 C LIG 1 6.606 -1.955 -0.906 0.00 0.00 +0.105 C ENDBRANCH 12 17 BRANCH 14 22 ATOM 22 C LIG 1 3.878 3.282 1.390 0.00 0.00 +0.418 C ATOM 23 F LIG 1 5.103 3.783 1.709 0.00 0.00 -0.166 F ATOM 24 F LIG 1 3.148 3.317 2.538 0.00 0.00 -0.166 F ATOM 25 F LIG 1 3.305 4.195 0.558 0.00 0.00 -0.166 F ENDBRANCH 14 22 ENDBRANCH 3 7 BRANCH 5 26 ATOM 26 C LIG 1 -3.743 -1.530 -1.123 0.00 0.00 -0.007 A ATOM 27 C LIG 1 -4.753 -2.174 -0.368 0.00 0.00 +0.028 A ATOM 28 C LIG 1 -5.456 -3.261 -0.925 0.00 0.00 +0.031 A ATOM 29 C LIG 1 -5.189 -3.702 -2.225 0.00 0.00 +0.052 A ATOM 30 C LIG 1 -4.209 -3.062 -2.981 0.00 0.00 +0.019 A ATOM 31 C LIG 1 -3.495 -1.994 -2.433 0.00 0.00 +0.010 A BRANCH 27 32 ATOM 32 C LIG 1 -5.072 -1.773 1.004 0.00 0.00 +0.164 A ATOM 33 N LIG 1 -6.288 -1.305 1.442 0.00 0.00 -0.317 N ATOM 34 C LIG 1 -7.474 -1.067 0.664 0.00 0.00 +0.152 C ATOM 35 C LIG 1 -6.147 -1.050 2.771 0.00 0.00 +0.225 A ATOM 36 N LIG 1 -4.922 -1.327 3.142 0.00 0.00 -0.138 NA ATOM 37 N LIG 1 -4.245 -1.778 2.033 0.00 0.00 -0.129 NA ENDBRANCH 27 32 BRANCH 29 38 ATOM 38 C LIG 1 -5.922 -4.803 -2.775 0.00 0.00 +0.099 C ATOM 39 N LIG 1 -6.534 -5.685 -3.216 0.00 0.00 -0.191 NA ENDBRANCH 29 38 ENDBRANCH 5 26 BRANCH 1 40 ATOM 40 N LIG 1 -3.371 3.002 0.719 0.00 0.00 -0.329 N ATOM 41 H LIG 1 -4.060 2.727 1.415 0.00 0.00 +0.147 HD BRANCH 40 43 ATOM 42 C LIG 1 -1.896 4.877 0.109 0.00 0.00 +0.024 C ATOM 43 C LIG 1 -2.498 4.053 1.237 0.00 0.00 +0.099 C ENDBRANCH 40 43 ENDBRANCH 1 40 TORSDOF 8