REMARK Name = BDB024166 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.515 -1.657 -1.131 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.432 -2.961 -1.931 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -2.062 -2.914 -3.289 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.972 -4.080 -4.051 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -2.266 -5.313 -3.476 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -2.659 -5.379 -2.142 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -2.748 -4.213 -1.377 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 -0.053 -1.507 -1.019 0.00 0.00 -0.283 N ATOM 9 H LIG 1 -0.150 -2.509 -0.896 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 -1.220 -0.799 -1.274 0.00 0.00 +0.239 C ATOM 11 O LIG 1 -1.284 0.403 -1.525 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 3.897 -0.078 -0.961 0.00 0.00 +0.121 A ATOM 13 N LIG 1 2.891 0.792 -1.185 0.00 0.00 -0.238 NA ATOM 14 C LIG 1 1.612 0.330 -1.202 0.00 0.00 +0.136 A ATOM 15 C LIG 1 1.260 -0.999 -1.013 0.00 0.00 +0.052 A ATOM 16 C LIG 1 2.302 -1.895 -0.801 0.00 0.00 +0.028 A ATOM 17 C LIG 1 3.621 -1.433 -0.781 0.00 0.00 +0.045 A BRANCH 12 22 ATOM 18 C LIG 1 5.567 3.469 2.001 0.00 0.00 +0.105 C ATOM 19 N LIG 1 5.919 2.518 0.950 0.00 0.00 -0.302 NA ATOM 20 C LIG 1 5.655 1.130 1.390 0.00 0.00 +0.103 C ATOM 21 C LIG 1 5.975 0.093 0.286 0.00 0.00 +0.122 C ATOM 22 N LIG 1 5.225 0.369 -0.958 0.00 0.00 -0.313 N ATOM 23 C LIG 1 5.413 1.768 -1.407 0.00 0.00 +0.122 C ATOM 24 C LIG 1 5.138 2.794 -0.281 0.00 0.00 +0.103 C ENDBRANCH 12 22 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 25 ATOM 25 N LIG 1 -2.791 -1.884 0.312 0.00 0.00 -0.302 NA ATOM 26 H LIG 1 -1.964 -2.305 0.733 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 -3.105 -0.656 1.060 0.00 0.00 +0.086 C BRANCH 27 28 ATOM 28 C LIG 1 -4.426 0.017 0.658 0.00 0.00 +0.050 C BRANCH 28 29 ATOM 29 C LIG 1 -4.724 1.212 1.534 0.00 0.00 -0.046 A ATOM 30 C LIG 1 -5.572 1.089 2.642 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -5.831 2.193 3.459 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -5.241 3.429 3.177 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -4.391 3.556 2.075 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -4.132 2.453 1.259 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 -5.507 4.561 4.016 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -5.722 5.475 4.698 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 9