REMARK Name = BDB009105 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.225 1.557 -0.209 0.00 0.00 +0.034 A ATOM 2 C LIG 1 -1.149 0.781 -0.916 0.00 0.00 +0.027 A ATOM 3 C LIG 1 -2.133 1.381 -1.722 0.00 0.00 -0.040 A ATOM 4 C LIG 1 -2.154 2.778 -1.840 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -1.236 3.558 -1.141 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -0.279 2.950 -0.328 0.00 0.00 +0.023 A ENDROOT BRANCH 1 9 ATOM 7 O LIG 1 0.442 -1.285 0.466 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 1.034 -0.306 0.896 0.00 0.00 +0.249 C ATOM 9 N LIG 1 0.778 1.025 0.626 0.00 0.00 -0.281 N ATOM 10 H LIG 1 1.402 1.699 1.053 0.00 0.00 +0.155 HD BRANCH 8 11 ATOM 11 C LIG 1 2.188 -0.508 1.811 0.00 0.00 +0.040 A ATOM 12 C LIG 1 3.310 -1.266 1.427 0.00 0.00 -0.035 A ATOM 13 C LIG 1 4.375 -1.383 2.337 0.00 0.00 +0.004 A ATOM 14 C LIG 1 4.317 -0.776 3.594 0.00 0.00 +0.000 A ATOM 15 C LIG 1 3.194 -0.045 3.969 0.00 0.00 +0.001 A ATOM 16 C LIG 1 2.129 0.090 3.081 0.00 0.00 +0.013 A BRANCH 12 17 ATOM 17 C LIG 1 3.433 -1.935 0.073 0.00 0.00 +0.040 C BRANCH 17 18 ATOM 18 C LIG 1 3.732 -0.971 -1.083 0.00 0.00 +0.040 C BRANCH 18 19 ATOM 19 C LIG 1 5.110 -0.356 -1.007 0.00 0.00 -0.047 A ATOM 20 C LIG 1 6.238 -1.093 -1.392 0.00 0.00 +0.003 A ATOM 21 C LIG 1 7.513 -0.532 -1.304 0.00 0.00 +0.000 A ATOM 22 C LIG 1 7.673 0.768 -0.830 0.00 0.00 +0.000 A ATOM 23 C LIG 1 6.558 1.509 -0.443 0.00 0.00 +0.000 A ATOM 24 C LIG 1 5.282 0.951 -0.531 0.00 0.00 +0.003 A ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 12 17 ENDBRANCH 8 11 ENDBRANCH 1 9 BRANCH 3 25 ATOM 25 C LIG 1 -3.122 0.552 -2.512 0.00 0.00 +0.092 C BRANCH 25 26 ATOM 26 C LIG 1 -3.689 -0.651 -1.765 0.00 0.00 +0.069 A ATOM 27 C LIG 1 -4.759 -0.449 -0.738 0.00 0.00 -0.016 A ATOM 28 C LIG 1 -5.277 0.926 -0.420 0.00 0.00 +0.037 C ATOM 29 C LIG 1 -6.144 0.975 0.842 0.00 0.00 +0.005 C ATOM 30 C LIG 1 -7.102 -0.207 0.904 0.00 0.00 +0.005 C ATOM 31 C LIG 1 -6.337 -1.532 0.885 0.00 0.00 +0.041 C ATOM 32 C LIG 1 -5.230 -1.553 -0.132 0.00 0.00 +0.023 A ATOM 33 C LIG 1 -4.665 -2.885 -0.466 0.00 0.00 +0.268 A ATOM 34 O LIG 1 -5.056 -3.909 0.087 0.00 0.00 -0.266 OA ATOM 35 N LIG 1 -3.696 -2.899 -1.431 0.00 0.00 -0.243 N ATOM 36 H LIG 1 -3.281 -3.795 -1.662 0.00 0.00 +0.192 HD ATOM 37 N LIG 1 -3.204 -1.814 -2.086 0.00 0.00 -0.175 NA ENDBRANCH 25 26 ENDBRANCH 3 25 TORSDOF 7