REMARK Name = BDB047103 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.885 -1.309 -0.509 0.00 0.00 +0.080 A ATOM 2 C LIG 1 0.576 -1.927 -1.731 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -0.744 -1.984 -2.189 0.00 0.00 +0.048 A ATOM 4 C LIG 1 -1.778 -1.423 -1.432 0.00 0.00 +0.031 A ATOM 5 C LIG 1 -1.496 -0.800 -0.211 0.00 0.00 +0.068 A ATOM 6 C LIG 1 -0.166 -0.745 0.242 0.00 0.00 +0.044 A ENDROOT BRANCH 5 7 ATOM 7 N LIG 1 -2.532 -0.236 0.578 0.00 0.00 -0.220 N ATOM 8 N LIG 1 -2.282 0.363 1.768 0.00 0.00 -0.060 NA ATOM 9 N LIG 1 -3.431 0.769 2.288 0.00 0.00 -0.133 NA ATOM 10 C LIG 1 -4.433 0.423 1.425 0.00 0.00 +0.100 A ATOM 11 C LIG 1 -3.884 -0.208 0.330 0.00 0.00 +0.141 A BRANCH 10 12 ATOM 12 C LIG 1 -5.859 0.735 1.740 0.00 0.00 +0.162 C BRANCH 12 13 ATOM 13 N LIG 1 -6.264 2.138 1.645 0.00 0.00 -0.323 N ATOM 14 H LIG 1 -5.568 2.730 2.088 0.00 0.00 +0.148 HD BRANCH 13 15 ATOM 15 C LIG 1 -6.511 2.612 0.347 0.00 0.00 +0.119 A ATOM 16 N LIG 1 -6.545 1.766 -0.703 0.00 0.00 -0.241 NA ATOM 17 C LIG 1 -6.841 2.280 -1.922 0.00 0.00 +0.113 A ATOM 18 C LIG 1 -7.113 3.615 -2.156 0.00 0.00 +0.020 A ATOM 19 C LIG 1 -7.091 4.477 -1.071 0.00 0.00 +0.005 A ATOM 20 C LIG 1 -6.793 3.969 0.194 0.00 0.00 +0.043 A ENDBRANCH 13 15 ENDBRANCH 12 13 ENDBRANCH 10 12 ENDBRANCH 5 7 BRANCH 1 23 ATOM 21 N LIG 1 3.259 -1.900 -0.603 0.00 0.00 -0.281 N ATOM 22 H LIG 1 2.937 -2.456 -1.391 0.00 0.00 +0.155 HD ATOM 23 C LIG 1 2.274 -1.205 0.065 0.00 0.00 +0.252 C ATOM 24 O LIG 1 2.433 -0.553 1.092 0.00 0.00 -0.270 OA BRANCH 21 27 ATOM 25 C LIG 1 6.642 -1.315 0.899 0.00 0.00 +0.061 A ATOM 26 C LIG 1 5.261 -1.194 0.674 0.00 0.00 +0.038 A ATOM 27 C LIG 1 4.633 -1.972 -0.301 0.00 0.00 +0.034 A ATOM 28 C LIG 1 5.397 -2.874 -1.052 0.00 0.00 +0.023 A ATOM 29 C LIG 1 6.767 -3.012 -0.826 0.00 0.00 +0.003 A ATOM 30 C LIG 1 7.388 -2.233 0.148 0.00 0.00 +0.015 A BRANCH 25 31 ATOM 31 C LIG 1 7.368 -0.481 1.898 0.00 0.00 +0.339 C ATOM 32 O LIG 1 8.552 -0.627 2.158 0.00 0.00 -0.245 OA BRANCH 31 34 ATOM 33 C LIG 1 7.184 1.332 3.366 0.00 0.00 +0.280 C ATOM 34 O LIG 1 6.549 0.453 2.439 0.00 0.00 -0.464 OA ENDBRANCH 31 34 ENDBRANCH 25 31 ENDBRANCH 21 27 ENDBRANCH 1 23 BRANCH 2 35 ATOM 35 O LIG 1 1.559 -2.494 -2.504 0.00 0.00 -0.506 OA ATOM 36 H LIG 1 1.171 -2.776 -3.353 0.00 0.00 +0.292 HD ENDBRANCH 2 35 TORSDOF 9