REMARK Name = BDB006975 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.645 1.418 0.269 0.00 0.00 +0.234 C ATOM 2 N LIG 1 -0.228 0.364 0.497 0.00 0.00 -0.269 N ATOM 3 C LIG 1 -1.566 0.296 0.063 0.00 0.00 +0.041 A ATOM 4 C LIG 1 -2.149 -0.913 0.446 0.00 0.00 -0.014 A ATOM 5 C LIG 1 -3.471 -1.205 0.124 0.00 0.00 +0.006 A ATOM 6 C LIG 1 -4.210 -0.263 -0.591 0.00 0.00 +0.004 A ATOM 7 C LIG 1 -3.633 0.960 -0.985 0.00 0.00 -0.041 A ATOM 8 C LIG 1 -1.180 -1.784 1.228 0.00 0.00 +0.037 C ATOM 9 C LIG 1 -1.669 -1.853 2.690 0.00 0.00 +0.023 C ATOM 10 C LIG 1 -2.296 1.237 -0.648 0.00 0.00 +0.027 A ATOM 11 C LIG 1 0.111 -0.905 1.173 0.00 0.00 +0.129 C ATOM 12 O LIG 1 0.353 2.453 -0.337 0.00 0.00 -0.274 OA ENDROOT BRANCH 8 13 ATOM 13 C LIG 1 -0.955 -3.142 0.564 0.00 0.00 -0.017 A ATOM 14 C LIG 1 -1.146 -4.355 1.224 0.00 0.00 +0.115 A ATOM 15 N LIG 1 -0.952 -5.577 0.671 0.00 0.00 -0.263 NA ATOM 16 C LIG 1 -0.545 -5.606 -0.614 0.00 0.00 +0.111 A ATOM 17 C LIG 1 -0.326 -4.472 -1.371 0.00 0.00 +0.020 A ATOM 18 C LIG 1 -0.536 -3.232 -0.775 0.00 0.00 +0.007 A ENDBRANCH 8 13 BRANCH 1 19 ATOM 19 C LIG 1 2.071 1.269 0.832 0.00 0.00 +0.181 C BRANCH 19 21 ATOM 20 C LIG 1 4.234 0.070 0.622 0.00 0.00 +0.097 C ATOM 21 N LIG 1 2.857 0.251 0.105 0.00 0.00 -0.286 NA ATOM 22 C LIG 1 2.903 0.554 -1.351 0.00 0.00 +0.103 C ATOM 23 C LIG 1 4.002 -0.186 -2.175 0.00 0.00 +0.065 C ATOM 24 C LIG 1 5.142 0.753 -2.588 0.00 0.00 +0.025 C ATOM 25 N LIG 1 4.524 -1.375 -1.499 0.00 0.00 -0.311 NA ATOM 26 H LIG 1 5.285 -1.801 -2.025 0.00 0.00 +0.122 HD ATOM 27 C LIG 1 4.952 -1.108 -0.117 0.00 0.00 +0.102 C BRANCH 20 28 ATOM 28 C LIG 1 4.340 -0.171 2.151 0.00 0.00 +0.179 C BRANCH 28 30 ATOM 29 C LIG 1 6.475 0.732 2.706 0.00 0.00 +0.194 C ATOM 30 O LIG 1 5.679 -0.439 2.582 0.00 0.00 -0.381 OA ENDBRANCH 28 30 ENDBRANCH 20 28 ENDBRANCH 19 21 ENDBRANCH 1 19 BRANCH 7 31 ATOM 31 C LIG 1 -4.451 1.979 -1.747 0.00 0.00 +0.070 C BRANCH 31 32 ATOM 32 C LIG 1 -5.413 2.757 -0.879 0.00 0.00 -0.043 A ATOM 33 C LIG 1 -6.785 2.467 -0.895 0.00 0.00 +0.004 A ATOM 34 C LIG 1 -7.670 3.183 -0.087 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -7.193 4.193 0.746 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -5.831 4.487 0.774 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -4.945 3.773 -0.033 0.00 0.00 +0.004 A ENDBRANCH 31 32 ENDBRANCH 7 31 TORSDOF 7