REMARK Name = BDB009225 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.262 0.217 -0.411 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -1.032 -0.304 -0.263 0.00 0.00 +0.017 A ATOM 3 C LIG 1 -2.033 -0.013 -1.203 0.00 0.00 -0.041 A ATOM 4 C LIG 1 -1.714 0.794 -2.304 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -0.427 1.314 -2.458 0.00 0.00 +0.001 A ATOM 6 C LIG 1 0.558 1.036 -1.511 0.00 0.00 +0.013 A ENDROOT BRANCH 1 8 ATOM 7 O LIG 1 0.861 -0.303 1.785 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 1.266 -0.073 0.652 0.00 0.00 +0.248 C ATOM 9 N LIG 1 2.577 -0.089 0.232 0.00 0.00 -0.280 N ATOM 10 H LIG 1 2.767 -0.081 -0.765 0.00 0.00 +0.155 HD BRANCH 9 11 ATOM 11 C LIG 1 3.745 -0.234 1.012 0.00 0.00 +0.055 A ATOM 12 C LIG 1 4.972 -0.321 0.312 0.00 0.00 +0.053 A ATOM 13 C LIG 1 6.170 -0.457 1.027 0.00 0.00 +0.025 A ATOM 14 C LIG 1 6.159 -0.474 2.421 0.00 0.00 +0.002 A ATOM 15 C LIG 1 4.952 -0.368 3.108 0.00 0.00 +0.002 A ATOM 16 C LIG 1 3.747 -0.249 2.407 0.00 0.00 +0.025 A BRANCH 12 17 ATOM 17 N LIG 1 4.998 -0.357 -1.112 0.00 0.00 -0.313 N ATOM 18 H LIG 1 5.848 0.089 -1.451 0.00 0.00 +0.152 HD BRANCH 17 19 ATOM 19 C LIG 1 4.758 -1.515 -1.903 0.00 0.00 +0.031 A ATOM 20 C LIG 1 4.216 -2.695 -1.380 0.00 0.00 +0.023 A ATOM 21 C LIG 1 3.970 -3.798 -2.202 0.00 0.00 +0.002 A ATOM 22 C LIG 1 4.233 -3.724 -3.566 0.00 0.00 +0.000 A ATOM 23 C LIG 1 4.728 -2.542 -4.111 0.00 0.00 +0.002 A ATOM 24 C LIG 1 4.978 -1.442 -3.285 0.00 0.00 +0.023 A ENDBRANCH 17 19 ENDBRANCH 12 17 ENDBRANCH 9 11 ENDBRANCH 1 8 BRANCH 3 25 ATOM 25 C LIG 1 -3.436 -0.543 -1.031 0.00 0.00 +0.092 C BRANCH 25 26 ATOM 26 C LIG 1 -4.434 0.557 -0.678 0.00 0.00 +0.069 A ATOM 27 C LIG 1 -4.606 0.982 0.747 0.00 0.00 -0.016 A ATOM 28 C LIG 1 -3.885 0.282 1.865 0.00 0.00 +0.037 C ATOM 29 C LIG 1 -4.485 0.575 3.245 0.00 0.00 +0.005 C ATOM 30 C LIG 1 -4.763 2.062 3.412 0.00 0.00 +0.005 C ATOM 31 C LIG 1 -5.747 2.547 2.348 0.00 0.00 +0.041 C ATOM 32 C LIG 1 -5.457 1.999 0.976 0.00 0.00 +0.023 A ATOM 33 C LIG 1 -6.175 2.639 -0.156 0.00 0.00 +0.268 A ATOM 34 O LIG 1 -6.935 3.587 0.012 0.00 0.00 -0.266 OA ATOM 35 N LIG 1 -5.950 2.097 -1.392 0.00 0.00 -0.243 N ATOM 36 H LIG 1 -6.409 2.542 -2.180 0.00 0.00 +0.192 HD ATOM 37 N LIG 1 -5.080 1.091 -1.675 0.00 0.00 -0.175 NA ENDBRANCH 25 26 ENDBRANCH 3 25 TORSDOF 6