REMARK Name = BDB059224 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.379 0.474 0.625 0.00 0.00 +0.150 A ATOM 2 C LIG 1 -1.741 0.238 0.402 0.00 0.00 +0.034 A ATOM 3 C LIG 1 -2.665 -0.632 -0.320 0.00 0.00 +0.150 C ATOM 4 N LIG 1 -3.987 -0.051 0.069 0.00 0.00 -0.270 N ATOM 5 C LIG 1 -3.887 1.107 1.043 0.00 0.00 +0.075 C ATOM 6 C LIG 1 -4.472 0.766 2.418 0.00 0.00 +0.038 C ATOM 7 C LIG 1 -4.448 2.411 0.473 0.00 0.00 +0.038 C ATOM 8 C LIG 1 -5.086 -0.616 -0.534 0.00 0.00 +0.304 C ATOM 9 N LIG 1 -6.292 -0.044 -0.249 0.00 0.00 -0.291 N ATOM 10 H LIG 1 -6.373 0.386 0.650 0.00 0.00 +0.151 HD ATOM 11 O LIG 1 -4.976 -1.554 -1.321 0.00 0.00 -0.253 OA ATOM 12 C LIG 1 -2.412 1.170 1.128 0.00 0.00 +0.066 A ATOM 13 N LIG 1 -1.491 1.924 1.755 0.00 0.00 -0.277 N ATOM 14 H LIG 1 -1.609 2.714 2.382 0.00 0.00 +0.189 HD ATOM 15 N LIG 1 -0.236 1.516 1.466 0.00 0.00 -0.158 NA ENDROOT BRANCH 1 16 ATOM 16 N LIG 1 0.583 -0.282 0.044 0.00 0.00 -0.298 N ATOM 17 H LIG 1 0.272 -1.026 -0.568 0.00 0.00 +0.154 HD BRANCH 16 21 ATOM 18 C LIG 1 4.836 -0.201 0.164 0.00 0.00 +0.034 A ATOM 19 C LIG 1 4.142 -1.163 -0.575 0.00 0.00 +0.025 A ATOM 20 C LIG 1 2.741 -1.169 -0.602 0.00 0.00 +0.025 A ATOM 21 C LIG 1 1.992 -0.219 0.108 0.00 0.00 +0.033 A ATOM 22 C LIG 1 2.699 0.733 0.846 0.00 0.00 +0.025 A ATOM 23 C LIG 1 4.103 0.745 0.876 0.00 0.00 +0.025 A BRANCH 18 25 ATOM 24 C LIG 1 7.130 0.622 0.735 0.00 0.00 +0.248 C ATOM 25 N LIG 1 6.245 -0.264 0.148 0.00 0.00 -0.282 N ATOM 26 H LIG 1 6.642 -1.003 -0.416 0.00 0.00 +0.155 HD ATOM 27 O LIG 1 6.860 1.663 1.318 0.00 0.00 -0.270 OA BRANCH 24 31 ATOM 28 C LIG 1 11.297 -0.373 0.312 0.00 0.00 +0.034 A ATOM 29 C LIG 1 10.353 -1.383 0.552 0.00 0.00 +0.024 A ATOM 30 C LIG 1 8.995 -1.077 0.691 0.00 0.00 +0.015 A ATOM 31 C LIG 1 8.565 0.250 0.587 0.00 0.00 +0.037 A ATOM 32 C LIG 1 9.504 1.263 0.370 0.00 0.00 +0.015 A ATOM 33 C LIG 1 10.861 0.950 0.226 0.00 0.00 +0.024 A BRANCH 28 35 ATOM 34 C LIG 1 13.734 0.036 -0.076 0.00 0.00 +0.241 C ATOM 35 N LIG 1 12.645 -0.772 0.183 0.00 0.00 -0.282 N ATOM 36 H LIG 1 12.820 -1.761 0.290 0.00 0.00 +0.155 HD ATOM 37 O LIG 1 13.734 1.246 -0.257 0.00 0.00 -0.271 OA BRANCH 34 39 ATOM 38 C LIG 1 16.171 -0.140 -0.382 0.00 0.00 +0.013 C ATOM 39 C LIG 1 15.004 -0.747 -0.126 0.00 0.00 +0.060 C ENDBRANCH 34 39 ENDBRANCH 28 35 ENDBRANCH 24 31 ENDBRANCH 18 25 ENDBRANCH 16 21 ENDBRANCH 1 16 BRANCH 9 40 ATOM 40 C LIG 1 -7.540 -0.619 -0.756 0.00 0.00 +0.119 C BRANCH 40 41 ATOM 41 C LIG 1 -8.075 -1.586 0.299 0.00 0.00 -0.026 A ATOM 42 C LIG 1 -7.800 -2.958 0.174 0.00 0.00 +0.005 A ATOM 43 C LIG 1 -8.247 -3.867 1.133 0.00 0.00 +0.000 A ATOM 44 C LIG 1 -8.967 -3.418 2.237 0.00 0.00 +0.000 A ATOM 45 C LIG 1 -9.234 -2.059 2.386 0.00 0.00 +0.000 A ATOM 46 C LIG 1 -8.787 -1.147 1.428 0.00 0.00 +0.005 A ENDBRANCH 40 41 BRANCH 40 47 ATOM 47 C LIG 1 -8.577 0.490 -1.129 0.00 0.00 +0.111 C BRANCH 47 48 ATOM 48 N LIG 1 -8.403 1.150 -2.446 0.00 0.00 -0.306 NA ATOM 49 C LIG 1 -7.111 1.820 -2.584 0.00 0.00 +0.104 C ATOM 50 C LIG 1 -9.491 2.102 -2.678 0.00 0.00 +0.104 C ENDBRANCH 47 48 ENDBRANCH 40 47 ENDBRANCH 9 40 TORSDOF 10