REMARK Name = BDB035594 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.325 0.798 0.039 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.850 1.534 -0.153 0.00 0.00 +0.251 C ATOM 3 O LIG 1 1.061 2.570 -0.757 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.923 0.821 0.552 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.263 1.151 0.647 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.098 0.297 1.381 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.555 -0.866 1.981 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.188 -1.186 1.877 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.384 -0.313 1.148 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.080 -0.382 0.857 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.010 0.570 -0.680 0.00 0.00 -0.035 A ATOM 12 C LIG 1 -2.722 0.301 -0.169 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.611 1.102 -0.488 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.819 2.189 -1.342 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.084 2.462 -1.871 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.171 1.656 -1.548 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -5.174 -0.338 -0.288 0.00 0.00 +0.087 C BRANCH 17 20 ATOM 18 C LIG 1 -6.028 1.743 1.870 0.00 0.00 +0.151 C ATOM 19 N LIG 1 -6.836 1.282 0.774 0.00 0.00 -0.320 N ATOM 20 C LIG 1 -6.502 0.366 -0.196 0.00 0.00 +0.140 A ATOM 21 N LIG 1 -7.533 0.238 -1.007 0.00 0.00 -0.134 NA ATOM 22 N LIG 1 -8.540 1.062 -0.573 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 -8.105 1.688 0.494 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 C LIG 1 -5.208 -1.647 -1.110 0.00 0.00 +0.024 C BRANCH 24 25 ATOM 25 C LIG 1 -5.401 -1.467 -2.614 0.00 0.00 +0.041 C ATOM 26 C LIG 1 -6.821 -1.566 -3.203 0.00 0.00 +0.165 C ATOM 27 O LIG 1 -6.394 -2.580 -4.150 0.00 0.00 -0.379 OA ATOM 28 C LIG 1 -5.156 -2.751 -3.426 0.00 0.00 +0.165 C ENDBRANCH 24 25 ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 1.615 -2.429 2.503 0.00 0.00 +0.418 C ATOM 30 F LIG 1 0.524 -2.157 3.275 0.00 0.00 -0.166 F ATOM 31 F LIG 1 2.485 -3.099 3.304 0.00 0.00 -0.166 F ATOM 32 F LIG 1 1.189 -3.323 1.569 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 5.578 0.593 1.508 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 6.352 -0.337 0.683 0.00 0.00 -0.307 NA ATOM 35 H LIG 1 5.934 -0.364 -0.247 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 7.798 -0.029 0.684 0.00 0.00 +0.017 C ATOM 37 C LIG 1 8.468 -0.996 -0.335 0.00 0.00 +0.022 C ATOM 38 C LIG 1 8.288 0.074 -1.429 0.00 0.00 +0.004 C ATOM 39 C LIG 1 8.103 1.122 -0.315 0.00 0.00 +0.022 C ATOM 40 C LIG 1 8.451 -0.006 2.051 0.00 0.00 +0.027 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 9