REMARK Name = BDB010477 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.680 0.021 0.482 0.00 0.00 +0.150 A ATOM 2 C LIG 1 0.687 0.579 -0.304 0.00 0.00 +0.129 A ATOM 3 C LIG 1 1.038 1.263 -1.452 0.00 0.00 +0.186 A ATOM 4 N LIG 1 -0.057 1.786 -2.082 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 -1.083 1.405 -1.362 0.00 0.00 +0.201 A ATOM 6 N LIG 1 2.298 1.409 -1.882 0.00 0.00 -0.193 NA ATOM 7 C LIG 1 3.216 0.822 -1.114 0.00 0.00 +0.222 A ATOM 8 N LIG 1 -0.687 0.629 -0.291 0.00 0.00 -0.307 N ATOM 9 N LIG 1 2.943 0.155 0.026 0.00 0.00 -0.197 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 -2.394 1.703 -1.569 0.00 0.00 -0.289 N ATOM 11 C LIG 1 -2.720 3.155 -1.428 0.00 0.00 +0.132 C ATOM 12 C LIG 1 -2.498 3.935 -2.755 0.00 0.00 +0.187 C ATOM 13 O LIG 1 -3.131 3.323 -3.893 0.00 0.00 -0.376 OA ATOM 14 C LIG 1 -2.650 1.982 -4.053 0.00 0.00 +0.179 C ATOM 15 C LIG 1 -2.962 1.131 -2.816 0.00 0.00 +0.136 C BRANCH 11 16 ATOM 16 C LIG 1 -4.107 3.288 -0.797 0.00 0.00 -0.025 A ATOM 17 C LIG 1 -5.261 3.592 -1.534 0.00 0.00 +0.005 A ATOM 18 C LIG 1 -6.506 3.690 -0.906 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -6.619 3.482 0.466 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -5.487 3.174 1.214 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -4.243 3.076 0.588 0.00 0.00 +0.005 A ENDBRANCH 11 16 ENDBRANCH 5 10 BRANCH 7 22 ATOM 22 N LIG 1 4.527 0.886 -1.510 0.00 0.00 -0.299 N ATOM 23 C LIG 1 4.946 1.760 -2.591 0.00 0.00 +0.122 C ATOM 24 C LIG 1 6.458 1.567 -2.609 0.00 0.00 +0.116 C ATOM 25 C LIG 1 6.798 1.360 -1.135 0.00 0.00 +0.035 C ATOM 26 C LIG 1 5.609 0.558 -0.600 0.00 0.00 +0.109 C BRANCH 24 27 ATOM 27 C LIG 1 7.154 2.727 -3.256 0.00 0.00 +0.309 C ATOM 28 O LIG 1 7.724 2.695 -4.335 0.00 0.00 -0.251 OA BRANCH 27 29 ATOM 29 O LIG 1 7.099 3.873 -2.556 0.00 0.00 -0.480 OA ATOM 30 H LIG 1 7.586 4.519 -3.111 0.00 0.00 +0.295 HD ENDBRANCH 27 29 ENDBRANCH 24 27 ENDBRANCH 7 22 BRANCH 1 31 ATOM 31 N LIG 1 1.410 -0.640 1.681 0.00 0.00 -0.324 N ATOM 32 H LIG 1 0.780 -0.077 2.241 0.00 0.00 +0.148 HD BRANCH 31 34 ATOM 33 C LIG 1 3.026 -2.476 1.831 0.00 0.00 +0.028 C ATOM 34 C LIG 1 2.554 -1.156 2.445 0.00 0.00 +0.072 C BRANCH 34 35 ATOM 35 C LIG 1 2.123 -1.315 3.920 0.00 0.00 +0.009 C ATOM 36 C LIG 1 3.089 -1.986 4.931 0.00 0.00 +0.005 C ATOM 37 C LIG 1 2.209 -3.247 4.886 0.00 0.00 +0.001 C ATOM 38 C LIG 1 1.071 -2.388 4.308 0.00 0.00 +0.005 C ENDBRANCH 34 35 ENDBRANCH 31 34 ENDBRANCH 1 31 BRANCH 8 39 ATOM 39 C LIG 1 -1.572 -0.002 0.671 0.00 0.00 +0.128 C BRANCH 39 40 ATOM 40 C LIG 1 -1.651 -1.537 0.565 0.00 0.00 +0.009 C ATOM 41 C LIG 1 -2.308 -1.991 -0.747 0.00 0.00 +0.005 C ATOM 42 C LIG 1 -2.462 -3.510 -0.811 0.00 0.00 +0.003 C ATOM 43 C LIG 1 -3.230 -4.056 0.397 0.00 0.00 -0.014 C ATOM 44 C LIG 1 -3.329 -5.579 0.333 0.00 0.00 +0.007 C ATOM 45 C LIG 1 -2.567 -3.612 1.706 0.00 0.00 +0.003 C ATOM 46 C LIG 1 -2.421 -2.094 1.772 0.00 0.00 +0.005 C ENDBRANCH 39 40 ENDBRANCH 8 39 TORSDOF 10