REMARK Name = BDB053937 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.111 -2.503 -0.042 0.00 0.00 -0.311 N ATOM 2 H LIG 1 -1.160 -1.534 -0.348 0.00 0.00 +0.149 HD ATOM 3 C LIG 1 -0.313 -2.831 1.030 0.00 0.00 +0.244 C ATOM 4 O LIG 1 -0.398 -3.901 1.624 0.00 0.00 -0.270 OA ENDROOT BRANCH 3 5 ATOM 5 C LIG 1 0.666 -1.795 1.478 0.00 0.00 +0.037 A ATOM 6 C LIG 1 1.062 -0.724 0.663 0.00 0.00 +0.016 A ATOM 7 C LIG 1 1.975 0.223 1.138 0.00 0.00 +0.047 A ATOM 8 C LIG 1 2.518 0.089 2.419 0.00 0.00 +0.128 A ATOM 9 C LIG 1 2.125 -0.969 3.237 0.00 0.00 +0.047 A ATOM 10 C LIG 1 1.208 -1.912 2.765 0.00 0.00 +0.016 A BRANCH 8 11 ATOM 11 O LIG 1 3.395 1.000 2.965 0.00 0.00 -0.456 OA BRANCH 11 12 ATOM 12 C LIG 1 4.396 1.482 2.154 0.00 0.00 +0.129 A ATOM 13 C LIG 1 5.251 0.637 1.437 0.00 0.00 +0.049 A ATOM 14 C LIG 1 6.268 1.187 0.657 0.00 0.00 +0.042 A ATOM 15 C LIG 1 6.429 2.569 0.614 0.00 0.00 +0.124 A ATOM 16 F LIG 1 7.406 3.095 -0.137 0.00 0.00 -0.205 F ATOM 17 C LIG 1 5.597 3.413 1.343 0.00 0.00 +0.042 A ATOM 18 C LIG 1 4.580 2.866 2.125 0.00 0.00 +0.049 A ENDBRANCH 11 12 ENDBRANCH 8 11 ENDBRANCH 3 5 BRANCH 1 19 ATOM 19 C LIG 1 -2.224 -3.333 -0.445 0.00 0.00 +0.109 C BRANCH 19 22 ATOM 20 N LIG 1 -2.130 -0.510 -1.790 0.00 0.00 -0.330 N ATOM 21 C LIG 1 -3.326 -1.383 -1.671 0.00 0.00 +0.110 C ATOM 22 C LIG 1 -2.907 -2.863 -1.744 0.00 0.00 +0.023 C ATOM 23 C LIG 1 -2.067 -3.129 -3.005 0.00 0.00 +0.008 C ATOM 24 C LIG 1 -0.933 -2.127 -3.203 0.00 0.00 +0.019 C ATOM 25 C LIG 1 -1.417 -0.683 -3.070 0.00 0.00 +0.105 C BRANCH 20 28 ATOM 26 C LIG 1 -2.877 2.316 0.519 0.00 0.00 +0.061 A ATOM 27 C LIG 1 -2.667 1.025 0.011 0.00 0.00 +0.038 A ATOM 28 C LIG 1 -2.356 0.805 -1.342 0.00 0.00 +0.030 A ATOM 29 C LIG 1 -2.251 1.935 -2.167 0.00 0.00 +0.023 A ATOM 30 C LIG 1 -2.459 3.226 -1.671 0.00 0.00 +0.003 A ATOM 31 C LIG 1 -2.773 3.420 -0.329 0.00 0.00 +0.015 A BRANCH 26 33 ATOM 32 O LIG 1 -3.354 1.543 2.748 0.00 0.00 -0.245 OA ATOM 33 C LIG 1 -3.203 2.457 1.958 0.00 0.00 +0.337 C BRANCH 33 34 ATOM 34 O LIG 1 -3.326 3.740 2.344 0.00 0.00 -0.477 OA ATOM 35 H LIG 1 -3.524 3.676 3.302 0.00 0.00 +0.295 HD ENDBRANCH 33 34 ENDBRANCH 26 33 ENDBRANCH 20 28 ENDBRANCH 19 22 ENDBRANCH 1 19 TORSDOF 8