REMARK Name = BDB047113 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.291 0.331 -0.136 0.00 0.00 +0.080 A ATOM 2 C LIG 1 1.468 1.404 -1.024 0.00 0.00 +0.129 A ATOM 3 C LIG 1 0.365 2.057 -1.585 0.00 0.00 +0.048 A ATOM 4 C LIG 1 -0.933 1.649 -1.267 0.00 0.00 +0.031 A ATOM 5 C LIG 1 -1.136 0.582 -0.384 0.00 0.00 +0.068 A ATOM 6 C LIG 1 -0.023 -0.070 0.176 0.00 0.00 +0.044 A ENDROOT BRANCH 5 7 ATOM 7 N LIG 1 -2.446 0.149 -0.046 0.00 0.00 -0.219 N ATOM 8 N LIG 1 -2.661 -0.881 0.805 0.00 0.00 -0.060 NA ATOM 9 N LIG 1 -3.968 -1.058 0.931 0.00 0.00 -0.129 NA ATOM 10 C LIG 1 -4.605 -0.133 0.152 0.00 0.00 +0.113 A ATOM 11 C LIG 1 -3.658 0.644 -0.478 0.00 0.00 +0.144 A BRANCH 10 12 ATOM 12 C LIG 1 -6.050 -0.030 0.042 0.00 0.00 +0.006 A ATOM 13 C LIG 1 -6.864 -0.915 0.764 0.00 0.00 +0.040 A ATOM 14 C LIG 1 -8.252 -0.863 0.698 0.00 0.00 +0.090 A ATOM 15 C LIG 1 -8.867 0.114 -0.123 0.00 0.00 +0.089 A ATOM 16 N LIG 1 -10.207 0.209 -0.225 0.00 0.00 -0.252 NA ATOM 17 C LIG 1 -10.926 -0.676 0.498 0.00 0.00 +0.131 A ATOM 18 C LIG 1 -10.331 -1.629 1.299 0.00 0.00 +0.131 A ATOM 19 C LIG 1 -8.064 0.990 -0.838 0.00 0.00 +0.030 A ATOM 20 N LIG 1 -8.990 -1.737 1.411 0.00 0.00 -0.252 NA ATOM 21 C LIG 1 -6.669 0.928 -0.764 0.00 0.00 +0.012 A ENDBRANCH 10 12 ENDBRANCH 5 7 BRANCH 1 24 ATOM 22 N LIG 1 3.693 -0.021 0.196 0.00 0.00 -0.281 N ATOM 23 H LIG 1 3.749 0.761 -0.453 0.00 0.00 +0.155 HD ATOM 24 C LIG 1 2.415 -0.431 0.515 0.00 0.00 +0.252 C ATOM 25 O LIG 1 2.133 -1.352 1.276 0.00 0.00 -0.270 OA BRANCH 22 28 ATOM 26 C LIG 1 7.353 -0.394 0.566 0.00 0.00 +0.061 A ATOM 27 C LIG 1 6.086 0.061 0.167 0.00 0.00 +0.038 A ATOM 28 C LIG 1 4.919 -0.544 0.650 0.00 0.00 +0.034 A ATOM 29 C LIG 1 5.033 -1.613 1.540 0.00 0.00 +0.023 A ATOM 30 C LIG 1 6.291 -2.072 1.942 0.00 0.00 +0.003 A ATOM 31 C LIG 1 7.450 -1.466 1.458 0.00 0.00 +0.015 A BRANCH 26 32 ATOM 32 C LIG 1 8.548 0.297 0.011 0.00 0.00 +0.339 C ATOM 33 O LIG 1 8.482 1.235 -0.768 0.00 0.00 -0.245 OA BRANCH 32 35 ATOM 34 C LIG 1 10.883 0.356 0.001 0.00 0.00 +0.280 C ATOM 35 O LIG 1 9.690 -0.257 0.490 0.00 0.00 -0.464 OA ENDBRANCH 32 35 ENDBRANCH 26 32 ENDBRANCH 22 28 ENDBRANCH 1 24 BRANCH 2 36 ATOM 36 O LIG 1 2.724 1.838 -1.364 0.00 0.00 -0.506 OA ATOM 37 H LIG 1 2.648 2.585 -1.986 0.00 0.00 +0.292 HD ENDBRANCH 2 36 TORSDOF 7