REMARK Name = BDB048435 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.432 -0.931 -1.295 0.00 0.00 +0.121 A ATOM 2 C LIG 1 -0.816 -1.448 -1.659 0.00 0.00 +0.050 A ATOM 3 C LIG 1 -1.988 -0.686 -1.534 0.00 0.00 -0.030 A ATOM 4 C LIG 1 -1.879 0.630 -1.067 0.00 0.00 +0.005 A ATOM 5 C LIG 1 -0.640 1.151 -0.698 0.00 0.00 +0.004 A ATOM 6 C LIG 1 0.514 0.371 -0.805 0.00 0.00 +0.045 A ENDROOT BRANCH 1 7 ATOM 7 O LIG 1 1.472 -1.803 -1.458 0.00 0.00 -0.492 OA BRANCH 7 8 ATOM 8 C LIG 1 2.801 -1.334 -1.215 0.00 0.00 +0.235 C BRANCH 8 9 ATOM 9 C LIG 1 3.179 -1.515 0.253 0.00 0.00 +0.100 C BRANCH 9 12 ATOM 10 C LIG 1 6.059 -3.181 0.790 0.00 0.00 +0.088 C ATOM 11 C LIG 1 5.711 -1.750 0.751 0.00 0.00 +0.126 A ATOM 12 C LIG 1 4.553 -1.035 0.536 0.00 0.00 +0.086 A ATOM 13 N LIG 1 4.824 0.313 0.609 0.00 0.00 -0.214 NA ATOM 14 C LIG 1 6.119 0.372 0.864 0.00 0.00 +0.228 A ATOM 15 O LIG 1 6.722 -0.856 0.960 0.00 0.00 -0.440 OA BRANCH 14 16 ATOM 16 C LIG 1 6.972 1.544 1.048 0.00 0.00 +0.037 A ATOM 17 C LIG 1 6.415 2.829 0.946 0.00 0.00 +0.013 A ATOM 18 C LIG 1 7.206 3.968 1.116 0.00 0.00 +0.001 A ATOM 19 C LIG 1 8.566 3.837 1.391 0.00 0.00 +0.000 A ATOM 20 C LIG 1 9.134 2.570 1.496 0.00 0.00 +0.001 A ATOM 21 C LIG 1 8.342 1.430 1.325 0.00 0.00 +0.013 A ENDBRANCH 14 16 ENDBRANCH 9 12 ENDBRANCH 8 9 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 3 22 ATOM 22 C LIG 1 -3.334 -1.253 -1.932 0.00 0.00 +0.120 C BRANCH 22 23 ATOM 23 N LIG 1 -4.095 -2.032 -0.914 0.00 0.00 -0.284 NA BRANCH 23 24 ATOM 24 C LIG 1 -4.402 -1.244 0.304 0.00 0.00 +0.121 C BRANCH 24 25 ATOM 25 C LIG 1 -5.369 -0.087 0.089 0.00 0.00 -0.026 A ATOM 26 C LIG 1 -5.232 1.164 0.766 0.00 0.00 -0.013 A ATOM 27 C LIG 1 -6.188 2.183 0.511 0.00 0.00 -0.018 A ATOM 28 C LIG 1 -6.079 3.434 1.141 0.00 0.00 +0.008 A ATOM 29 C LIG 1 -5.044 3.704 2.032 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -4.106 2.721 2.309 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -7.255 1.946 -0.365 0.00 0.00 +0.008 A ATOM 32 C LIG 1 -7.408 0.712 -0.987 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -4.201 1.471 1.689 0.00 0.00 +0.009 A ATOM 34 C LIG 1 -6.480 -0.295 -0.754 0.00 0.00 +0.005 A ENDBRANCH 24 25 ENDBRANCH 23 24 BRANCH 23 35 ATOM 35 C LIG 1 -3.406 -3.293 -0.522 0.00 0.00 +0.206 C BRANCH 35 36 ATOM 36 C LIG 1 -3.509 -4.322 -1.645 0.00 0.00 +0.319 C ATOM 37 O LIG 1 -2.747 -5.263 -1.799 0.00 0.00 -0.250 OA BRANCH 36 38 ATOM 38 O LIG 1 -4.596 -4.109 -2.432 0.00 0.00 -0.480 OA ATOM 39 H LIG 1 -5.020 -3.277 -2.114 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 23 35 ENDBRANCH 22 23 ENDBRANCH 3 22 TORSDOF 12