REMARK Name = BDB053877 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.746 -1.201 -0.867 0.00 0.00 -0.294 N ATOM 2 C LIG 1 -1.509 -0.059 -1.141 0.00 0.00 +0.224 C ATOM 3 O LIG 1 -1.566 0.425 -2.278 0.00 0.00 -0.275 OA ENDROOT BRANCH 2 4 ATOM 4 C LIG 1 -2.245 0.611 0.019 0.00 0.00 +0.125 C ATOM 5 C LIG 1 -3.774 0.374 -0.034 0.00 0.00 +0.108 C ATOM 6 C LIG 1 -4.363 -0.126 1.264 0.00 0.00 -0.010 A ATOM 7 C LIG 1 -5.224 -1.187 1.002 0.00 0.00 -0.016 A ATOM 8 C LIG 1 -5.920 -1.828 2.014 0.00 0.00 +0.006 A ATOM 9 C LIG 1 -5.727 -1.396 3.326 0.00 0.00 +0.000 A ATOM 10 C LIG 1 -4.853 -0.334 3.601 0.00 0.00 +0.000 A ATOM 11 C LIG 1 -5.249 -1.449 -0.454 0.00 0.00 +0.196 C ATOM 12 C LIG 1 -4.167 0.308 2.568 0.00 0.00 +0.007 A ATOM 13 O LIG 1 -4.102 -0.724 -0.942 0.00 0.00 -0.363 OA ATOM 14 C LIG 1 -4.511 1.629 -0.534 0.00 0.00 +0.056 C ATOM 15 C LIG 1 -4.165 2.882 0.274 0.00 0.00 +0.084 C ATOM 16 N LIG 1 -2.799 2.901 0.801 0.00 0.00 -0.315 NA ATOM 17 H LIG 1 -2.463 3.865 0.854 0.00 0.00 +0.122 HD ATOM 18 C LIG 1 -1.893 2.114 -0.033 0.00 0.00 +0.096 C ENDBRANCH 2 4 BRANCH 1 19 ATOM 19 C LIG 1 -0.571 -1.747 0.458 0.00 0.00 +0.077 C ATOM 20 C LIG 1 -0.427 -3.227 0.721 0.00 0.00 +0.024 C ATOM 21 C LIG 1 -1.677 -2.517 1.132 0.00 0.00 +0.024 C ENDBRANCH 1 19 BRANCH 1 22 ATOM 22 C LIG 1 0.185 -1.649 -1.908 0.00 0.00 +0.143 C BRANCH 22 27 ATOM 23 C LIG 1 2.945 0.986 -2.097 0.00 0.00 -0.044 A ATOM 24 C LIG 1 3.968 0.345 -1.383 0.00 0.00 +0.049 A ATOM 25 C LIG 1 3.789 -0.938 -0.856 0.00 0.00 +0.121 A ATOM 26 C LIG 1 2.571 -1.592 -1.045 0.00 0.00 +0.050 A ATOM 27 C LIG 1 1.535 -0.977 -1.768 0.00 0.00 -0.026 A ATOM 28 C LIG 1 1.740 0.304 -2.298 0.00 0.00 +0.009 A BRANCH 23 29 ATOM 29 C LIG 1 3.138 2.382 -2.633 0.00 0.00 +0.037 C BRANCH 29 30 ATOM 30 C LIG 1 2.111 3.402 -2.128 0.00 0.00 +0.033 C BRANCH 30 31 ATOM 31 C LIG 1 2.173 3.616 -0.615 0.00 0.00 +0.160 C BRANCH 31 33 ATOM 32 C LIG 1 1.575 5.904 -0.352 0.00 0.00 +0.193 C ATOM 33 O LIG 1 1.179 4.551 -0.186 0.00 0.00 -0.383 OA ENDBRANCH 31 33 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 23 29 BRANCH 25 34 ATOM 34 O LIG 1 4.868 -1.429 -0.171 0.00 0.00 -0.490 OA BRANCH 34 35 ATOM 35 C LIG 1 4.741 -2.738 0.385 0.00 0.00 +0.257 C BRANCH 35 36 ATOM 36 C LIG 1 6.045 -3.103 1.082 0.00 0.00 +0.200 C BRANCH 36 37 ATOM 37 O LIG 1 5.930 -4.408 1.648 0.00 0.00 -0.380 OA ATOM 38 C LIG 1 7.128 -4.800 2.305 0.00 0.00 +0.194 C ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 25 34 ENDBRANCH 22 27 ENDBRANCH 1 22 TORSDOF 12