REMARK Name = BDB051035 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.214 -2.224 0.313 0.00 0.00 +0.037 A ATOM 2 C LIG 1 0.007 -1.527 0.112 0.00 0.00 -0.017 A ATOM 3 C LIG 1 0.599 -0.716 1.243 0.00 0.00 +0.046 C ATOM 4 C LIG 1 0.673 -1.607 -1.142 0.00 0.00 +0.052 A ATOM 5 C LIG 1 0.170 -2.456 -2.149 0.00 0.00 +0.033 A ATOM 6 C LIG 1 -1.006 -3.141 -1.892 0.00 0.00 +0.138 A ATOM 7 O LIG 1 -1.365 -3.898 -2.965 0.00 0.00 -0.451 OA ATOM 8 C LIG 1 -0.413 -3.711 -3.932 0.00 0.00 +0.209 A ATOM 9 C LIG 1 0.543 -2.826 -3.472 0.00 0.00 +0.063 A ATOM 10 C LIG 1 -1.726 -3.050 -0.705 0.00 0.00 +0.070 A ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 1.892 -0.822 -1.458 0.00 0.00 +0.245 C ATOM 12 N LIG 1 1.792 0.529 -1.216 0.00 0.00 -0.307 N ATOM 13 H LIG 1 0.862 0.917 -1.089 0.00 0.00 +0.149 HD ATOM 14 O LIG 1 2.870 -1.363 -1.958 0.00 0.00 -0.270 OA BRANCH 12 15 ATOM 15 C LIG 1 2.808 1.450 -1.674 0.00 0.00 +0.149 C BRANCH 15 16 ATOM 16 C LIG 1 2.790 2.697 -0.847 0.00 0.00 +0.075 A ATOM 17 C LIG 1 1.512 3.467 -0.786 0.00 0.00 +0.257 A ATOM 18 O LIG 1 0.492 3.078 -1.350 0.00 0.00 -0.267 OA ATOM 19 N LIG 1 1.521 4.626 -0.048 0.00 0.00 -0.326 N ATOM 20 H LIG 1 0.641 5.127 -0.015 0.00 0.00 +0.169 HD ATOM 21 C LIG 1 2.603 5.089 0.662 0.00 0.00 +0.019 A ATOM 22 C LIG 1 2.416 6.343 1.458 0.00 0.00 +0.063 C ATOM 23 C LIG 1 3.751 4.397 0.618 0.00 0.00 +0.067 A ATOM 24 C LIG 1 3.850 3.199 -0.187 0.00 0.00 +0.132 A BRANCH 24 25 ATOM 25 O LIG 1 5.073 2.565 -0.147 0.00 0.00 -0.495 OA ATOM 26 C LIG 1 5.987 3.133 -1.087 0.00 0.00 +0.277 C ENDBRANCH 24 25 ENDBRANCH 15 16 ENDBRANCH 12 15 ENDBRANCH 4 11 BRANCH 8 27 ATOM 27 C LIG 1 -0.585 -4.448 -5.206 0.00 0.00 +0.450 C ATOM 28 F LIG 1 -0.523 -5.793 -5.033 0.00 0.00 -0.163 F ATOM 29 F LIG 1 0.377 -4.127 -6.111 0.00 0.00 -0.163 F ATOM 30 F LIG 1 -1.778 -4.179 -5.798 0.00 0.00 -0.163 F ENDBRANCH 8 27 BRANCH 1 31 ATOM 31 N LIG 1 -1.915 -2.056 1.531 0.00 0.00 -0.327 N BRANCH 31 32 ATOM 32 C LIG 1 -2.793 -0.857 1.517 0.00 0.00 +0.078 C ATOM 33 C LIG 1 -2.814 -0.191 2.898 0.00 0.00 +0.050 C ATOM 34 C LIG 1 -3.736 1.019 2.873 0.00 0.00 +0.161 C ATOM 35 O LIG 1 -5.047 0.644 2.450 0.00 0.00 -0.380 OA ATOM 36 C LIG 1 -5.060 0.114 1.125 0.00 0.00 +0.161 C ATOM 37 C LIG 1 -4.220 -1.153 1.044 0.00 0.00 +0.050 C ENDBRANCH 31 32 BRANCH 31 39 ATOM 38 C LIG 1 -1.259 -4.157 2.660 0.00 0.00 +0.024 C ATOM 39 C LIG 1 -2.410 -3.277 2.191 0.00 0.00 +0.102 C ENDBRANCH 31 39 ENDBRANCH 1 31 TORSDOF 8