REMARK Name = BDB058527 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.431 -0.715 0.459 0.00 0.00 +0.176 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.132 0.167 1.514 0.00 0.00 +0.238 C ATOM 3 N LIG 1 -0.390 0.751 2.521 0.00 0.00 -0.291 N ATOM 4 C LIG 1 1.024 0.501 2.836 0.00 0.00 +0.126 C ATOM 5 C LIG 1 1.173 0.941 4.302 0.00 0.00 +0.030 C ATOM 6 C LIG 1 0.025 1.919 4.532 0.00 0.00 +0.021 C ATOM 7 C LIG 1 -1.075 1.390 3.630 0.00 0.00 +0.108 C ATOM 8 O LIG 1 -2.350 0.380 1.417 0.00 0.00 -0.273 OA BRANCH 4 9 ATOM 9 C LIG 1 1.966 1.191 1.867 0.00 0.00 +0.080 A ATOM 10 N LIG 1 2.634 0.393 0.989 0.00 0.00 -0.251 NA ATOM 11 C LIG 1 3.453 1.003 0.091 0.00 0.00 +0.064 A ATOM 12 C LIG 1 3.595 2.384 0.075 0.00 0.00 +0.134 A ATOM 13 N LIG 1 2.929 3.195 0.926 0.00 0.00 -0.260 NA ATOM 14 C LIG 1 2.116 2.572 1.811 0.00 0.00 +0.136 A BRANCH 11 15 ATOM 15 C LIG 1 4.200 0.135 -0.890 0.00 0.00 +0.092 C BRANCH 15 16 ATOM 16 C LIG 1 5.684 0.042 -0.613 0.00 0.00 -0.041 A ATOM 17 C LIG 1 6.147 -0.646 0.522 0.00 0.00 +0.007 A ATOM 18 C LIG 1 7.515 -0.728 0.788 0.00 0.00 +0.038 A ATOM 19 C LIG 1 8.418 -0.124 -0.078 0.00 0.00 +0.123 A ATOM 20 F LIG 1 9.731 -0.203 0.177 0.00 0.00 -0.205 F ATOM 21 C LIG 1 7.981 0.558 -1.206 0.00 0.00 +0.038 A ATOM 22 C LIG 1 6.613 0.641 -1.476 0.00 0.00 +0.007 A ENDBRANCH 15 16 ENDBRANCH 11 15 ENDBRANCH 4 9 ENDBRANCH 1 2 BRANCH 1 24 ATOM 23 C LIG 1 -1.315 -2.927 1.080 0.00 0.00 +0.230 C ATOM 24 N LIG 1 -1.292 -1.869 0.195 0.00 0.00 -0.301 N ATOM 25 H LIG 1 -2.111 -1.697 -0.373 0.00 0.00 +0.150 HD ATOM 26 O LIG 1 -0.555 -2.998 2.046 0.00 0.00 -0.274 OA BRANCH 23 27 ATOM 27 C LIG 1 -2.414 -3.975 0.793 0.00 0.00 +0.137 C ATOM 28 C LIG 1 -3.660 -3.568 1.579 0.00 0.00 +0.034 C BRANCH 27 30 ATOM 29 C LIG 1 -2.847 -6.383 0.997 0.00 0.00 +0.101 C ATOM 30 N LIG 1 -1.882 -5.307 1.129 0.00 0.00 -0.309 NA ATOM 31 H LIG 1 -1.501 -5.277 2.078 0.00 0.00 +0.122 HD ENDBRANCH 27 30 ENDBRANCH 23 27 ENDBRANCH 1 24 BRANCH 1 32 ATOM 32 C LIG 1 -0.223 0.117 -0.814 0.00 0.00 +0.136 C BRANCH 32 33 ATOM 33 N LIG 1 -1.481 0.516 -1.446 0.00 0.00 -0.309 N ATOM 34 H LIG 1 -2.198 0.868 -0.818 0.00 0.00 +0.149 HD ATOM 35 C LIG 1 -1.491 0.965 -2.750 0.00 0.00 +0.244 C ATOM 36 O LIG 1 -0.508 0.918 -3.482 0.00 0.00 -0.270 OA BRANCH 35 37 ATOM 37 C LIG 1 -2.766 1.561 -3.245 0.00 0.00 +0.037 A ATOM 38 C LIG 1 -4.005 1.300 -2.639 0.00 0.00 +0.015 A ATOM 39 C LIG 1 -5.171 1.884 -3.143 0.00 0.00 +0.030 A ATOM 40 C LIG 1 -5.094 2.727 -4.256 0.00 0.00 +0.122 A ATOM 41 C LIG 1 -3.873 2.978 -4.885 0.00 0.00 +0.030 A ATOM 42 C LIG 1 -2.711 2.393 -4.375 0.00 0.00 +0.015 A BRANCH 40 43 ATOM 43 S LIG 1 -6.569 3.441 -4.923 0.00 0.00 +0.147 S ATOM 44 F LIG 1 -6.381 3.473 -6.503 0.00 0.00 -0.056 F ATOM 45 O LIG 1 -6.610 4.824 -4.497 0.00 0.00 -0.138 OA ATOM 46 O LIG 1 -7.661 2.520 -4.684 0.00 0.00 -0.138 OA ENDBRANCH 40 43 ENDBRANCH 35 37 ENDBRANCH 32 33 ENDBRANCH 1 32 TORSDOF 11