REMARK Name = BDB017342 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.535 -0.162 -1.359 0.00 0.00 +0.035 A ATOM 2 C LIG 1 1.342 -0.566 -0.293 0.00 0.00 +0.027 A ATOM 3 C LIG 1 2.722 -0.728 -0.464 0.00 0.00 +0.048 A ATOM 4 C LIG 1 3.303 -0.498 -1.711 0.00 0.00 +0.129 A ATOM 5 C LIG 1 2.512 -0.069 -2.774 0.00 0.00 +0.048 A ATOM 6 C LIG 1 1.134 0.093 -2.600 0.00 0.00 +0.027 A ENDROOT BRANCH 1 10 ATOM 7 N LIG 1 -2.990 0.153 -0.466 0.00 0.00 -0.254 N ATOM 8 H LIG 1 -3.152 0.696 -1.300 0.00 0.00 +0.158 HD ATOM 9 C LIG 1 -1.683 -0.225 -0.179 0.00 0.00 +0.309 C ATOM 10 N LIG 1 -0.860 0.030 -1.268 0.00 0.00 -0.269 N ATOM 11 H LIG 1 -1.317 0.327 -2.116 0.00 0.00 +0.156 HD ATOM 12 O LIG 1 -1.317 -0.728 0.876 0.00 0.00 -0.252 OA BRANCH 7 14 ATOM 13 N LIG 1 -5.345 0.475 0.184 0.00 0.00 -0.218 N ATOM 14 C LIG 1 -4.037 0.063 0.448 0.00 0.00 +0.130 A ATOM 15 C LIG 1 -4.052 -0.364 1.759 0.00 0.00 +0.069 A ATOM 16 C LIG 1 -5.322 -0.015 2.271 0.00 0.00 +0.071 A ATOM 17 N LIG 1 -6.068 0.576 1.329 0.00 0.00 -0.169 NA BRANCH 13 21 ATOM 18 C LIG 1 -5.627 -0.064 -4.768 0.00 0.00 +0.044 C ATOM 19 C LIG 1 -6.110 0.552 -3.487 0.00 0.00 -0.048 A ATOM 20 C LIG 1 -5.488 0.236 -2.269 0.00 0.00 +0.031 A ATOM 21 C LIG 1 -5.965 0.776 -1.065 0.00 0.00 +0.068 A ATOM 22 C LIG 1 -7.110 1.585 -1.080 0.00 0.00 +0.028 A ATOM 23 C LIG 1 -7.736 1.893 -2.289 0.00 0.00 +0.002 A ATOM 24 C LIG 1 -7.237 1.382 -3.486 0.00 0.00 +0.003 A ENDBRANCH 13 21 BRANCH 16 25 ATOM 25 C LIG 1 -5.861 -0.170 3.684 0.00 0.00 +0.006 C ATOM 26 C LIG 1 -5.953 1.212 4.362 0.00 0.00 +0.017 C ATOM 27 C LIG 1 -7.266 -0.810 3.659 0.00 0.00 +0.017 C ATOM 28 C LIG 1 -4.953 -1.071 4.548 0.00 0.00 +0.017 C ENDBRANCH 16 25 ENDBRANCH 7 14 ENDBRANCH 1 10 BRANCH 4 29 ATOM 29 O LIG 1 4.655 -0.605 -1.956 0.00 0.00 -0.455 OA BRANCH 29 30 ATOM 30 C LIG 1 5.330 -1.638 -1.343 0.00 0.00 +0.141 A ATOM 31 C LIG 1 6.415 -1.385 -0.488 0.00 0.00 +0.063 A ATOM 32 C LIG 1 7.003 -2.526 0.069 0.00 0.00 +0.145 A ATOM 33 N LIG 1 8.041 -2.396 0.978 0.00 0.00 -0.307 N ATOM 34 H LIG 1 8.423 -3.246 1.363 0.00 0.00 +0.170 HD ATOM 35 C LIG 1 8.546 -1.211 1.404 0.00 0.00 +0.254 A ATOM 36 C LIG 1 7.954 0.022 0.806 0.00 0.00 +0.021 A ATOM 37 C LIG 1 8.544 1.316 1.307 0.00 0.00 +0.041 C ATOM 38 C LIG 1 7.713 2.541 0.932 0.00 0.00 +0.005 C ATOM 39 C LIG 1 7.274 2.459 -0.519 0.00 0.00 +0.005 C ATOM 40 C LIG 1 6.431 1.204 -0.768 0.00 0.00 +0.036 C ATOM 41 O LIG 1 9.451 -1.157 2.231 0.00 0.00 -0.268 OA ATOM 42 N LIG 1 6.638 -3.804 -0.188 0.00 0.00 -0.237 NA ATOM 43 C LIG 1 5.620 -3.988 -1.047 0.00 0.00 +0.117 A ATOM 44 C LIG 1 6.965 -0.051 -0.114 0.00 0.00 -0.025 A ATOM 45 C LIG 1 4.943 -2.949 -1.649 0.00 0.00 +0.067 A ENDBRANCH 29 30 ENDBRANCH 4 29 TORSDOF 6