REMARK Name = BDB050484 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.548 3.247 0.762 0.00 0.00 +0.227 C ATOM 2 N LIG 1 -0.446 2.428 0.642 0.00 0.00 -0.285 N ATOM 3 H LIG 1 -0.171 2.216 -0.313 0.00 0.00 +0.155 HD ATOM 4 O LIG 1 -1.986 3.673 1.832 0.00 0.00 -0.275 OA ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 0.389 1.919 1.650 0.00 0.00 +0.034 A ATOM 6 C LIG 1 1.581 1.304 1.220 0.00 0.00 +0.025 A ATOM 7 C LIG 1 2.445 0.674 2.127 0.00 0.00 +0.030 A ATOM 8 C LIG 1 2.095 0.629 3.480 0.00 0.00 +0.109 A ATOM 9 C LIG 1 0.929 1.290 3.921 0.00 0.00 +0.030 A ATOM 10 C LIG 1 0.091 1.950 3.010 0.00 0.00 +0.025 A BRANCH 8 11 ATOM 11 S LIG 1 2.790 -0.605 4.542 0.00 0.00 +0.076 S ATOM 12 O LIG 1 1.721 -1.022 5.460 0.00 0.00 -0.150 OA ATOM 13 O LIG 1 3.970 -0.215 5.300 0.00 0.00 -0.150 OA BRANCH 11 14 ATOM 14 N LIG 1 3.329 -1.887 3.598 0.00 0.00 -0.169 N ATOM 15 H LIG 1 4.338 -1.941 3.570 0.00 0.00 +0.178 HD ATOM 16 C LIG 1 2.557 -3.001 3.319 0.00 0.00 +0.323 C ATOM 17 N LIG 1 3.151 -4.246 3.128 0.00 0.00 -0.268 N ATOM 18 H LIG 1 2.548 -4.790 2.524 0.00 0.00 +0.156 HD ATOM 19 O LIG 1 1.340 -2.944 3.150 0.00 0.00 -0.251 OA BRANCH 17 20 ATOM 20 C LIG 1 4.498 -4.711 3.141 0.00 0.00 +0.035 A ATOM 21 C LIG 1 4.852 -5.822 2.342 0.00 0.00 +0.023 A ATOM 22 C LIG 1 6.087 -6.495 2.538 0.00 0.00 +0.002 A ATOM 23 C LIG 1 6.971 -6.074 3.540 0.00 0.00 +0.000 A ATOM 24 C LIG 1 6.624 -4.977 4.334 0.00 0.00 +0.002 A ATOM 25 C LIG 1 5.404 -4.291 4.125 0.00 0.00 +0.023 A ENDBRANCH 17 20 ENDBRANCH 11 14 ENDBRANCH 8 11 ENDBRANCH 2 5 BRANCH 1 26 ATOM 26 C LIG 1 -2.219 3.655 -0.564 0.00 0.00 +0.173 C BRANCH 26 27 ATOM 27 S LIG 1 -1.063 3.582 -1.949 0.00 0.00 -0.078 S BRANCH 27 38 ATOM 28 N LIG 1 -2.720 1.915 -3.503 0.00 0.00 -0.255 N ATOM 29 C LIG 1 -3.273 1.510 -4.735 0.00 0.00 +0.267 A ATOM 30 O LIG 1 -4.163 0.664 -4.895 0.00 0.00 -0.267 OA ATOM 31 C LIG 1 -2.692 2.142 -5.939 0.00 0.00 +0.065 A ATOM 32 C LIG 1 -1.740 3.145 -5.745 0.00 0.00 +0.079 A ATOM 33 C LIG 1 -1.139 3.707 -6.887 0.00 0.00 +0.028 A ATOM 34 C LIG 1 -1.491 3.280 -8.177 0.00 0.00 +0.002 A ATOM 35 C LIG 1 -2.455 2.282 -8.354 0.00 0.00 +0.001 A ATOM 36 N LIG 1 -1.326 3.585 -4.479 0.00 0.00 -0.223 NA ATOM 37 C LIG 1 -3.057 1.714 -7.229 0.00 0.00 +0.015 A ATOM 38 C LIG 1 -1.814 2.982 -3.422 0.00 0.00 +0.177 A BRANCH 28 43 ATOM 39 C LIG 1 -4.760 -0.453 1.310 0.00 0.00 +0.044 C ATOM 40 C LIG 1 -4.204 0.087 0.026 0.00 0.00 -0.050 A ATOM 41 C LIG 1 -2.872 -0.128 -0.351 0.00 0.00 +0.005 A ATOM 42 C LIG 1 -2.381 0.432 -1.542 0.00 0.00 +0.026 A ATOM 43 C LIG 1 -3.218 1.220 -2.355 0.00 0.00 +0.052 A ATOM 44 C LIG 1 -4.567 1.361 -2.014 0.00 0.00 +0.026 A ATOM 45 C LIG 1 -5.050 0.818 -0.820 0.00 0.00 +0.005 A ENDBRANCH 28 43 ENDBRANCH 27 38 ENDBRANCH 26 27 ENDBRANCH 1 26 TORSDOF 8