REMARK Name = BDB024434 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.021 -1.022 -0.404 0.00 0.00 -0.269 N ATOM 2 H LIG 1 -0.300 -1.777 -1.018 0.00 0.00 +0.156 HD ATOM 3 C LIG 1 -0.956 -0.445 0.429 0.00 0.00 +0.240 C ATOM 4 O LIG 1 -0.727 0.426 1.269 0.00 0.00 -0.273 OA ENDROOT BRANCH 1 8 ATOM 5 C LIG 1 4.084 -0.465 -0.778 0.00 0.00 +0.003 A ATOM 6 C LIG 1 3.329 -1.378 -1.504 0.00 0.00 +0.121 A ATOM 7 N LIG 1 1.988 -1.546 -1.374 0.00 0.00 -0.240 NA ATOM 8 C LIG 1 1.348 -0.769 -0.476 0.00 0.00 +0.125 A ATOM 9 C LIG 1 2.010 0.180 0.290 0.00 0.00 +0.044 A ATOM 10 C LIG 1 3.391 0.330 0.136 0.00 0.00 +0.013 A BRANCH 5 14 ATOM 11 N LIG 1 7.647 0.043 -0.588 0.00 0.00 -0.262 N ATOM 12 N LIG 1 7.622 -0.359 -1.877 0.00 0.00 -0.179 NA ATOM 13 C LIG 1 6.326 -0.598 -2.103 0.00 0.00 +0.143 A ATOM 14 C LIG 1 5.516 -0.345 -0.971 0.00 0.00 +0.021 A ATOM 15 C LIG 1 6.412 0.068 -0.007 0.00 0.00 +0.117 A BRANCH 11 16 ATOM 16 C LIG 1 8.907 0.403 0.027 0.00 0.00 +0.239 C BRANCH 16 20 ATOM 17 C LIG 1 10.023 3.216 -2.252 0.00 0.00 +0.128 C ATOM 18 N LIG 1 9.719 1.926 -1.688 0.00 0.00 -0.317 N ATOM 19 H LIG 1 9.386 1.201 -2.325 0.00 0.00 +0.148 HD ATOM 20 C LIG 1 9.313 1.802 -0.373 0.00 0.00 +0.234 C ATOM 21 O LIG 1 9.300 2.738 0.422 0.00 0.00 -0.274 OA ENDBRANCH 16 20 ENDBRANCH 11 16 ENDBRANCH 5 14 ENDBRANCH 1 8 BRANCH 3 22 ATOM 22 C LIG 1 -2.390 -1.012 0.214 0.00 0.00 +0.171 C BRANCH 22 23 ATOM 23 C LIG 1 -2.556 -2.369 0.883 0.00 0.00 -0.022 A ATOM 24 C LIG 1 -2.118 -2.600 2.199 0.00 0.00 +0.005 A ATOM 25 C LIG 1 -2.289 -3.850 2.798 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -2.911 -4.881 2.097 0.00 0.00 +0.000 A ATOM 27 C LIG 1 -3.369 -4.662 0.799 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -3.197 -3.414 0.197 0.00 0.00 +0.005 A ENDBRANCH 22 23 BRANCH 22 29 ATOM 29 N LIG 1 -3.409 -0.077 0.739 0.00 0.00 -0.301 NA ATOM 30 H LIG 1 -3.074 0.240 1.652 0.00 0.00 +0.123 HD BRANCH 29 31 ATOM 31 C LIG 1 -3.596 1.092 -0.131 0.00 0.00 +0.089 C BRANCH 31 32 ATOM 32 C LIG 1 -4.684 2.086 0.359 0.00 0.00 +0.030 C ATOM 33 C LIG 1 -4.472 2.545 1.806 0.00 0.00 +0.014 C BRANCH 32 34 ATOM 34 C LIG 1 -6.104 1.582 0.133 0.00 0.00 -0.043 A ATOM 35 C LIG 1 -6.945 2.255 -0.768 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -8.253 1.815 -0.990 0.00 0.00 +0.019 A ATOM 37 C LIG 1 -8.741 0.694 -0.314 0.00 0.00 +0.052 A ATOM 38 C LIG 1 -7.913 0.015 0.583 0.00 0.00 +0.019 A ATOM 39 C LIG 1 -6.606 0.458 0.804 0.00 0.00 +0.005 A BRANCH 37 40 ATOM 40 C LIG 1 -10.082 0.245 -0.540 0.00 0.00 +0.099 C ATOM 41 N LIG 1 -11.169 -0.115 -0.727 0.00 0.00 -0.191 NA ENDBRANCH 37 40 ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 22 29 ENDBRANCH 3 22 TORSDOF 11