REMARK Name = BDB005048 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.063 -1.118 -0.739 0.00 0.00 +0.016 C ATOM 2 C LIG 1 -1.234 -0.429 -1.181 0.00 0.00 +0.060 C ATOM 3 C LIG 1 -2.441 -1.343 -1.033 0.00 0.00 +0.039 C ATOM 4 N LIG 1 -3.653 -0.960 -0.812 0.00 0.00 -0.253 NA ATOM 5 C LIG 1 -2.223 -2.804 -1.215 0.00 0.00 +0.019 C ATOM 6 C LIG 1 -0.998 -3.289 -1.451 0.00 0.00 -0.025 C ATOM 7 C LIG 1 0.243 -2.452 -1.480 0.00 0.00 +0.032 C ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 1.259 -0.175 -0.959 0.00 0.00 +0.107 C BRANCH 8 9 ATOM 9 N LIG 1 2.447 -0.694 -0.278 0.00 0.00 -0.328 N ATOM 10 H LIG 1 2.736 -1.595 -0.650 0.00 0.00 +0.147 HD BRANCH 9 14 ATOM 11 C LIG 1 7.053 0.262 0.898 0.00 0.00 +0.063 A ATOM 12 C LIG 1 5.856 0.645 0.256 0.00 0.00 +0.088 A ATOM 13 C LIG 1 4.759 -0.233 0.349 0.00 0.00 +0.041 A ATOM 14 C LIG 1 3.576 0.160 -0.312 0.00 0.00 +0.130 A ATOM 15 N LIG 1 3.477 1.325 -0.969 0.00 0.00 -0.220 NA ATOM 16 C LIG 1 4.564 2.092 -0.992 0.00 0.00 +0.223 A ATOM 17 C LIG 1 4.870 -1.438 1.088 0.00 0.00 +0.013 A ATOM 18 C LIG 1 6.055 -1.794 1.716 0.00 0.00 +0.002 A ATOM 19 N LIG 1 5.743 1.807 -0.426 0.00 0.00 -0.235 NA ATOM 20 C LIG 1 7.146 -0.947 1.616 0.00 0.00 +0.015 A BRANCH 11 24 ATOM 21 N LIG 1 8.281 2.275 0.198 0.00 0.00 -0.325 N ATOM 22 H LIG 1 9.112 2.848 0.188 0.00 0.00 +0.145 HD ATOM 23 H LIG 1 7.436 2.598 -0.265 0.00 0.00 +0.145 HD ATOM 24 C LIG 1 8.299 1.091 0.873 0.00 0.00 +0.244 C ATOM 25 O LIG 1 9.324 0.729 1.442 0.00 0.00 -0.270 OA ENDBRANCH 11 24 ENDBRANCH 9 14 ENDBRANCH 8 9 ENDBRANCH 1 8 BRANCH 4 26 ATOM 26 C LIG 1 -3.956 0.459 -0.694 0.00 0.00 +0.265 C BRANCH 26 27 ATOM 27 C LIG 1 -5.440 0.586 -0.469 0.00 0.00 +0.029 A ATOM 28 C LIG 1 -6.099 0.986 0.739 0.00 0.00 +0.026 A ATOM 29 C LIG 1 -7.467 0.973 0.483 0.00 0.00 +0.138 A ATOM 30 N LIG 1 -8.466 1.286 1.329 0.00 0.00 -0.237 NA ATOM 31 C LIG 1 -8.023 1.639 2.556 0.00 0.00 +0.113 A ATOM 32 C LIG 1 -6.693 1.693 2.953 0.00 0.00 +0.020 A ATOM 33 N LIG 1 -7.652 0.575 -0.810 0.00 0.00 -0.345 N ATOM 34 H LIG 1 -8.560 0.471 -1.237 0.00 0.00 +0.167 HD ATOM 35 C LIG 1 -5.698 1.361 2.033 0.00 0.00 +0.013 A ATOM 36 C LIG 1 -6.440 0.346 -1.403 0.00 0.00 +0.093 A ENDBRANCH 26 27 BRANCH 26 37 ATOM 37 O LIG 1 -3.561 1.253 -1.809 0.00 0.00 -0.367 OA ATOM 38 H LIG 1 -4.177 2.004 -1.827 0.00 0.00 +0.212 HD ENDBRANCH 26 37 ENDBRANCH 4 26 TORSDOF 7