REMARK Name = BDB058247 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.049 0.080 0.235 0.00 0.00 +0.035 A ATOM 2 C LIG 1 5.028 0.593 1.540 0.00 0.00 +0.027 A ATOM 3 C LIG 1 3.807 0.790 2.168 0.00 0.00 -0.038 A ATOM 4 C LIG 1 3.557 1.372 3.524 0.00 0.00 +0.040 C ATOM 5 C LIG 1 2.101 0.951 3.784 0.00 0.00 +0.067 C ATOM 6 C LIG 1 1.438 0.833 2.403 0.00 0.00 +0.216 C ATOM 7 C LIG 1 0.288 -0.139 2.384 0.00 0.00 +0.273 C ATOM 8 O LIG 1 0.297 -1.311 2.728 0.00 0.00 -0.270 OA ATOM 9 N LIG 1 -0.782 0.555 1.926 0.00 0.00 -0.195 N ATOM 10 C LIG 1 -0.454 1.843 1.694 0.00 0.00 +0.411 C ATOM 11 O LIG 1 -1.210 2.717 1.297 0.00 0.00 -0.226 OA ATOM 12 O LIG 1 0.852 2.074 2.012 0.00 0.00 -0.429 OA ATOM 13 C LIG 1 2.604 0.494 1.520 0.00 0.00 +0.008 A ATOM 14 C LIG 1 2.607 -0.006 0.227 0.00 0.00 +0.010 A ATOM 15 C LIG 1 3.837 -0.219 -0.408 0.00 0.00 +0.024 A ENDROOT BRANCH 1 20 ATOM 16 C LIG 1 8.449 -1.092 -3.106 0.00 0.00 +0.129 C ATOM 17 N LIG 1 7.953 -0.673 -1.817 0.00 0.00 -0.302 N ATOM 18 H LIG 1 8.406 -1.084 -1.015 0.00 0.00 +0.150 HD ATOM 19 C LIG 1 6.593 -0.462 -1.657 0.00 0.00 +0.304 C ATOM 20 N LIG 1 6.314 -0.121 -0.352 0.00 0.00 -0.269 N ATOM 21 H LIG 1 7.115 0.161 0.192 0.00 0.00 +0.156 HD ATOM 22 O LIG 1 5.800 -0.563 -2.582 0.00 0.00 -0.253 OA ENDBRANCH 1 20 BRANCH 9 23 ATOM 23 C LIG 1 -2.067 -0.030 1.618 0.00 0.00 +0.215 C BRANCH 23 24 ATOM 24 C LIG 1 -2.036 -0.566 0.179 0.00 0.00 +0.234 C ATOM 25 N LIG 1 -3.137 -1.290 -0.273 0.00 0.00 -0.284 N ATOM 26 C LIG 1 -3.144 -1.802 -1.669 0.00 0.00 +0.180 C ATOM 27 C LIG 1 -3.660 -0.743 -2.651 0.00 0.00 +0.036 C ATOM 28 C LIG 1 -5.150 -0.446 -2.465 0.00 0.00 +0.037 C ATOM 29 C LIG 1 -5.501 0.403 -1.263 0.00 0.00 -0.040 A ATOM 30 C LIG 1 -5.201 0.022 0.065 0.00 0.00 -0.027 A ATOM 31 C LIG 1 -5.642 0.837 1.129 0.00 0.00 +0.008 A ATOM 32 C LIG 1 -6.340 2.019 0.888 0.00 0.00 +0.038 A ATOM 33 C LIG 1 -6.615 2.391 -0.417 0.00 0.00 +0.124 A ATOM 34 F LIG 1 -7.292 3.522 -0.653 0.00 0.00 -0.205 F ATOM 35 C LIG 1 -6.210 1.599 -1.484 0.00 0.00 +0.042 A ATOM 36 C LIG 1 -4.437 -1.242 0.392 0.00 0.00 +0.143 C ATOM 37 O LIG 1 -1.057 -0.375 -0.542 0.00 0.00 -0.274 OA BRANCH 26 38 ATOM 38 C LIG 1 -1.853 -2.473 -2.209 0.00 0.00 +0.408 C ATOM 39 F LIG 1 -1.258 -3.238 -1.265 0.00 0.00 -0.169 F ATOM 40 F LIG 1 -0.950 -1.614 -2.715 0.00 0.00 -0.169 F ATOM 41 F LIG 1 -2.191 -3.315 -3.225 0.00 0.00 -0.169 F ENDBRANCH 26 38 ENDBRANCH 23 24 ENDBRANCH 9 23 TORSDOF 4