REMARK Name = BDB045347 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.680 -1.488 -0.115 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -3.898 -1.246 1.254 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -2.857 -0.705 2.018 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -1.599 -0.417 1.503 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -0.860 0.102 2.613 0.00 0.00 +0.093 A ATOM 6 N LIG 1 -1.622 0.173 3.714 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 -1.374 -0.667 0.137 0.00 0.00 +0.012 A ATOM 8 N LIG 1 -2.799 -0.342 3.334 0.00 0.00 -0.276 N ATOM 9 H LIG 1 -3.538 -0.408 4.024 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -2.411 -1.203 -0.644 0.00 0.00 +0.005 A ENDROOT BRANCH 1 14 ATOM 11 O LIG 1 -7.536 -3.231 -1.601 0.00 0.00 -0.274 OA ATOM 12 C LIG 1 -7.382 -2.081 -1.228 0.00 0.00 +0.228 C ATOM 13 C LIG 1 -6.074 -1.324 -1.240 0.00 0.00 +0.081 C ATOM 14 C LIG 1 -4.780 -2.067 -0.975 0.00 0.00 +0.040 C ATOM 15 C LIG 1 -5.076 -1.499 -2.348 0.00 0.00 +0.031 C ATOM 16 C LIG 1 -6.434 0.036 -0.711 0.00 0.00 -0.011 A ATOM 17 C LIG 1 -7.806 0.026 -0.409 0.00 0.00 +0.038 A ATOM 18 C LIG 1 -8.483 1.116 0.099 0.00 0.00 +0.023 A ATOM 19 C LIG 1 -7.744 2.280 0.314 0.00 0.00 +0.002 A ATOM 20 C LIG 1 -6.372 2.324 0.013 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -5.712 1.202 -0.505 0.00 0.00 +0.006 A ATOM 22 N LIG 1 -8.342 -1.226 -0.716 0.00 0.00 -0.284 N ATOM 23 H LIG 1 -9.309 -1.493 -0.610 0.00 0.00 +0.155 HD ENDBRANCH 1 14 BRANCH 5 24 ATOM 24 C LIG 1 0.503 0.548 2.632 0.00 0.00 +0.031 C ATOM 25 C LIG 1 1.512 0.075 1.882 0.00 0.00 +0.010 C BRANCH 25 26 ATOM 26 C LIG 1 2.893 0.568 1.963 0.00 0.00 -0.025 A ATOM 27 C LIG 1 3.636 0.694 0.781 0.00 0.00 +0.012 A ATOM 28 C LIG 1 4.974 1.126 0.804 0.00 0.00 -0.033 A ATOM 29 C LIG 1 5.564 1.434 2.037 0.00 0.00 +0.005 A ATOM 30 C LIG 1 4.837 1.299 3.220 0.00 0.00 +0.001 A ATOM 31 C LIG 1 3.512 0.862 3.183 0.00 0.00 +0.008 A BRANCH 28 32 ATOM 32 C LIG 1 5.754 1.279 -0.485 0.00 0.00 +0.119 C BRANCH 32 33 ATOM 33 N LIG 1 5.764 0.060 -1.310 0.00 0.00 -0.294 NA ATOM 34 C LIG 1 6.338 0.322 -2.648 0.00 0.00 +0.113 C ATOM 35 C LIG 1 7.867 0.492 -2.654 0.00 0.00 +0.175 C ATOM 36 O LIG 1 8.521 -0.637 -2.064 0.00 0.00 -0.377 OA ATOM 37 C LIG 1 8.053 -0.858 -0.728 0.00 0.00 +0.175 C ATOM 38 C LIG 1 6.527 -1.048 -0.692 0.00 0.00 +0.113 C ENDBRANCH 32 33 ENDBRANCH 28 32 ENDBRANCH 25 26 ENDBRANCH 5 24 TORSDOF 5