REMARK Name = BDB035726 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.759 0.544 -1.212 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.001 0.420 -0.044 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.326 0.154 1.099 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.400 0.653 -0.416 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.521 0.651 0.395 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.763 0.901 -0.204 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.832 1.132 -1.600 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.681 1.129 -2.411 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.462 0.886 -1.785 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.087 0.812 -2.368 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.388 0.178 -0.283 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -2.988 0.311 -0.186 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -2.172 0.429 -1.320 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.799 0.436 -2.574 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -4.186 0.307 -2.691 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.976 0.174 -1.553 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -5.223 0.052 0.994 0.00 0.00 +0.128 C BRANCH 17 20 ATOM 18 C LIG 1 -4.449 -2.949 1.278 0.00 0.00 +0.151 C ATOM 19 N LIG 1 -5.775 -2.433 1.059 0.00 0.00 -0.320 N ATOM 20 C LIG 1 -6.158 -1.119 0.926 0.00 0.00 +0.144 A ATOM 21 N LIG 1 -7.458 -1.092 0.706 0.00 0.00 -0.134 NA ATOM 22 N LIG 1 -7.927 -2.382 0.709 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 -6.906 -3.176 0.919 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 C LIG 1 -5.832 1.420 1.334 0.00 0.00 +0.171 C ATOM 25 C LIG 1 -6.866 1.479 2.484 0.00 0.00 +0.203 C ATOM 26 O LIG 1 -7.733 2.344 1.705 0.00 0.00 -0.373 OA ATOM 27 C LIG 1 -6.998 1.997 0.500 0.00 0.00 +0.203 C ATOM 28 F LIG 1 -4.801 2.300 1.517 0.00 0.00 -0.236 F ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 2.756 1.368 -3.895 0.00 0.00 +0.418 C ATOM 30 F LIG 1 4.011 1.622 -4.353 0.00 0.00 -0.166 F ATOM 31 F LIG 1 1.990 2.425 -4.284 0.00 0.00 -0.166 F ATOM 32 F LIG 1 2.300 0.301 -4.608 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 5.030 0.896 0.625 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 5.804 -0.316 0.354 0.00 0.00 -0.307 NA ATOM 35 H LIG 1 5.182 -1.119 0.453 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 7.019 -0.398 1.181 0.00 0.00 +0.017 C ATOM 37 C LIG 1 6.650 -0.788 2.640 0.00 0.00 +0.022 C ATOM 38 C LIG 1 7.746 -1.871 2.564 0.00 0.00 +0.004 C ATOM 39 C LIG 1 7.581 -1.845 1.029 0.00 0.00 +0.022 C ATOM 40 C LIG 1 8.031 0.710 0.946 0.00 0.00 +0.027 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 8