REMARK Name = BDB027260 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.703 -0.274 -0.609 0.00 0.00 +0.053 A ATOM 2 C LIG 1 -0.481 -0.082 -1.337 0.00 0.00 -0.003 A ATOM 3 C LIG 1 -1.452 -1.102 -1.353 0.00 0.00 +0.035 A ATOM 4 C LIG 1 -1.236 -2.292 -0.661 0.00 0.00 +0.071 A ATOM 5 N LIG 1 -0.089 -2.505 0.022 0.00 0.00 -0.253 NA ATOM 6 C LIG 1 0.830 -1.509 0.035 0.00 0.00 +0.134 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -2.221 -3.392 -0.622 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -1.796 -4.729 -0.533 0.00 0.00 +0.048 A ATOM 9 C LIG 1 -2.718 -5.771 -0.498 0.00 0.00 +0.124 A ATOM 10 F LIG 1 -2.283 -7.035 -0.419 0.00 0.00 -0.205 F ATOM 11 C LIG 1 -4.083 -5.522 -0.545 0.00 0.00 +0.038 A ATOM 12 C LIG 1 -4.533 -4.208 -0.623 0.00 0.00 +0.003 A ATOM 13 C LIG 1 -3.611 -3.155 -0.659 0.00 0.00 +0.010 A ENDBRANCH 4 7 BRANCH 1 16 ATOM 14 C LIG 1 3.783 1.059 0.850 0.00 0.00 +0.130 C ATOM 15 C LIG 1 2.231 1.077 0.767 0.00 0.00 +0.138 C ATOM 16 N LIG 1 1.687 0.724 -0.572 0.00 0.00 -0.326 N ATOM 17 C LIG 1 2.664 0.632 -1.671 0.00 0.00 +0.105 C ATOM 18 C LIG 1 3.839 -0.285 -1.334 0.00 0.00 +0.021 C ATOM 19 C LIG 1 4.336 -0.169 0.112 0.00 0.00 +0.036 C BRANCH 14 20 ATOM 20 N LIG 1 4.383 2.281 0.220 0.00 0.00 -0.315 NA ATOM 21 H LIG 1 5.389 2.275 0.412 0.00 0.00 +0.119 HD ATOM 22 H LIG 1 4.046 3.098 0.736 0.00 0.00 +0.119 HD ENDBRANCH 14 20 BRANCH 14 23 ATOM 23 C LIG 1 4.179 1.032 2.345 0.00 0.00 +0.329 C ATOM 24 O LIG 1 4.749 1.957 2.916 0.00 0.00 -0.249 OA BRANCH 23 26 ATOM 25 C LIG 1 4.143 -0.213 4.332 0.00 0.00 +0.280 C ATOM 26 O LIG 1 3.809 -0.133 2.945 0.00 0.00 -0.467 OA ENDBRANCH 23 26 ENDBRANCH 14 23 ENDBRANCH 1 16 BRANCH 2 27 ATOM 27 C LIG 1 -0.782 1.213 -2.052 0.00 0.00 +0.161 C BRANCH 27 28 ATOM 28 N LIG 1 -1.458 2.153 -1.181 0.00 0.00 -0.310 N ATOM 29 C LIG 1 -2.809 2.251 -0.987 0.00 0.00 +0.166 A ATOM 30 C LIG 1 -2.962 3.316 -0.113 0.00 0.00 +0.147 A ATOM 31 C LIG 1 -4.277 3.637 0.264 0.00 0.00 +0.147 A ATOM 32 N LIG 1 -5.291 2.889 -0.226 0.00 0.00 -0.219 NA ATOM 33 C LIG 1 -4.992 1.885 -1.078 0.00 0.00 +0.225 A ATOM 34 N LIG 1 -1.737 3.860 0.223 0.00 0.00 -0.231 NA ATOM 35 N LIG 1 -3.780 1.487 -1.518 0.00 0.00 -0.216 NA ATOM 36 C LIG 1 -0.860 3.143 -0.448 0.00 0.00 +0.202 A BRANCH 31 37 ATOM 37 N LIG 1 -4.587 4.677 1.132 0.00 0.00 -0.341 N ATOM 38 H LIG 1 -5.482 4.543 1.582 0.00 0.00 +0.144 HD ATOM 39 H LIG 1 -3.804 4.962 1.710 0.00 0.00 +0.144 HD ENDBRANCH 31 37 ENDBRANCH 27 28 ENDBRANCH 2 27 TORSDOF 8