REMARK Name = BDB032159 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 5.640 0.489 -0.468 0.00 0.00 -0.282 N ATOM 2 C LIG 1 4.496 0.790 -1.195 0.00 0.00 +0.248 C ATOM 3 O LIG 1 4.284 1.760 -1.895 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 3.549 -0.306 -0.966 0.00 0.00 +0.045 A ATOM 5 C LIG 1 4.180 -1.256 -0.172 0.00 0.00 +0.017 A ATOM 6 C LIG 1 3.500 -2.393 0.195 0.00 0.00 +0.129 A ATOM 7 C LIG 1 2.186 -2.577 -0.238 0.00 0.00 +0.045 A ATOM 8 C LIG 1 1.552 -1.613 -1.056 0.00 0.00 -0.007 A ATOM 9 F LIG 1 4.089 -3.317 0.963 0.00 0.00 -0.205 F ATOM 10 C LIG 1 2.249 -0.450 -1.420 0.00 0.00 +0.020 A ATOM 11 C LIG 1 5.571 -0.836 0.140 0.00 0.00 +0.147 C ENDROOT BRANCH 1 18 ATOM 12 O LIG 1 10.983 1.679 -0.687 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 9.758 1.628 -0.710 0.00 0.00 +0.219 C ATOM 14 N LIG 1 9.094 1.012 -1.740 0.00 0.00 -0.255 N ATOM 15 H LIG 1 9.694 0.545 -2.409 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 7.803 0.536 -1.694 0.00 0.00 +0.240 C ATOM 17 O LIG 1 7.451 -0.376 -2.438 0.00 0.00 -0.273 OA ATOM 18 C LIG 1 6.888 1.219 -0.663 0.00 0.00 +0.163 C ATOM 19 C LIG 1 7.662 1.410 0.638 0.00 0.00 +0.041 C ATOM 20 C LIG 1 8.902 2.249 0.370 0.00 0.00 +0.098 C ENDBRANCH 1 18 BRANCH 8 21 ATOM 21 C LIG 1 0.123 -1.809 -1.497 0.00 0.00 +0.269 C BRANCH 21 22 ATOM 22 O LIG 1 -0.711 -1.112 -0.568 0.00 0.00 -0.445 OA BRANCH 22 23 ATOM 23 C LIG 1 -2.037 -1.218 -0.840 0.00 0.00 +0.405 C ATOM 24 N LIG 1 -2.720 -0.505 0.104 0.00 0.00 -0.251 N ATOM 25 H LIG 1 -2.116 -0.058 0.781 0.00 0.00 +0.158 HD ATOM 26 O LIG 1 -2.492 -1.853 -1.778 0.00 0.00 -0.226 OA BRANCH 24 27 ATOM 27 C LIG 1 -4.108 -0.327 0.227 0.00 0.00 +0.042 A ATOM 28 C LIG 1 -4.564 0.459 1.286 0.00 0.00 +0.062 A ATOM 29 C LIG 1 -5.933 0.676 1.467 0.00 0.00 +0.136 A ATOM 30 F LIG 1 -6.304 1.452 2.499 0.00 0.00 -0.205 F ATOM 31 C LIG 1 -6.897 0.128 0.612 0.00 0.00 +0.053 A ATOM 32 C LIG 1 -6.411 -0.656 -0.443 0.00 0.00 +0.136 A ATOM 33 F LIG 1 -7.266 -1.232 -1.304 0.00 0.00 -0.205 F ATOM 34 C LIG 1 -5.044 -0.886 -0.640 0.00 0.00 +0.062 A BRANCH 31 35 ATOM 35 C LIG 1 -8.339 0.363 0.810 0.00 0.00 -0.012 A ATOM 36 C LIG 1 -8.940 0.191 2.070 0.00 0.00 +0.009 A ATOM 37 C LIG 1 -10.307 0.414 2.258 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -11.102 0.815 1.189 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -10.532 0.991 -0.068 0.00 0.00 +0.001 A ATOM 40 C LIG 1 -9.164 0.768 -0.254 0.00 0.00 +0.009 A ENDBRANCH 31 35 ENDBRANCH 24 27 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 8 21 TORSDOF 6