REMARK Name = BDB011893 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.028 -0.418 1.641 0.00 0.00 +0.237 C ATOM 2 N LIG 1 0.110 0.948 1.744 0.00 0.00 -0.280 N ATOM 3 C LIG 1 1.417 1.648 1.787 0.00 0.00 +0.193 C ATOM 4 C LIG 1 1.059 2.967 2.424 0.00 0.00 -0.014 A ATOM 5 C LIG 1 -0.331 3.083 2.553 0.00 0.00 -0.025 A ATOM 6 C LIG 1 -0.906 4.218 3.098 0.00 0.00 +0.005 A ATOM 7 C LIG 1 -0.062 5.245 3.529 0.00 0.00 +0.000 A ATOM 8 C LIG 1 1.332 5.126 3.408 0.00 0.00 +0.000 A ATOM 9 C LIG 1 1.902 3.981 2.852 0.00 0.00 +0.006 A ATOM 10 C LIG 1 -1.005 1.857 2.028 0.00 0.00 +0.144 C ATOM 11 O LIG 1 1.059 -1.091 1.510 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 12 ATOM 12 C LIG 1 2.030 1.803 0.360 0.00 0.00 +0.242 C ATOM 13 N LIG 1 2.262 0.580 -0.265 0.00 0.00 -0.283 N ATOM 14 H LIG 1 2.075 -0.235 0.315 0.00 0.00 +0.155 HD ATOM 15 O LIG 1 2.334 2.899 -0.108 0.00 0.00 -0.273 OA BRANCH 13 16 ATOM 16 C LIG 1 2.638 0.328 -1.611 0.00 0.00 +0.041 A ATOM 17 C LIG 1 2.839 -1.025 -2.044 0.00 0.00 +0.003 A ATOM 18 C LIG 1 3.101 -1.265 -3.419 0.00 0.00 -0.016 A ATOM 19 C LIG 1 3.277 -2.575 -3.894 0.00 0.00 +0.008 A ATOM 20 C LIG 1 3.214 -3.671 -3.035 0.00 0.00 +0.001 A ATOM 21 C LIG 1 2.988 -3.465 -1.684 0.00 0.00 +0.001 A ATOM 22 C LIG 1 3.193 -0.193 -4.316 0.00 0.00 +0.008 A ATOM 23 C LIG 1 3.034 1.115 -3.878 0.00 0.00 +0.002 A ATOM 24 C LIG 1 2.806 -2.167 -1.198 0.00 0.00 +0.010 A ATOM 25 C LIG 1 2.753 1.373 -2.538 0.00 0.00 +0.024 A ENDBRANCH 13 16 ENDBRANCH 3 12 BRANCH 1 26 ATOM 26 C LIG 1 -1.362 -1.077 1.487 0.00 0.00 +0.162 C BRANCH 26 28 ATOM 27 C LIG 1 -2.442 -0.325 -0.622 0.00 0.00 +0.230 C ATOM 28 N LIG 1 -1.562 -1.156 0.038 0.00 0.00 -0.302 N ATOM 29 H LIG 1 -0.856 -1.644 -0.505 0.00 0.00 +0.150 HD ATOM 30 O LIG 1 -3.194 0.447 -0.030 0.00 0.00 -0.274 OA BRANCH 27 31 ATOM 31 C LIG 1 -2.394 -0.441 -2.162 0.00 0.00 +0.137 C ATOM 32 C LIG 1 -1.262 0.438 -2.685 0.00 0.00 +0.034 C BRANCH 31 34 ATOM 33 C LIG 1 -4.719 -0.994 -2.587 0.00 0.00 +0.101 C ATOM 34 N LIG 1 -3.668 0.000 -2.763 0.00 0.00 -0.309 NA ATOM 35 H LIG 1 -3.954 0.860 -2.283 0.00 0.00 +0.122 HD ENDBRANCH 31 34 ENDBRANCH 27 31 ENDBRANCH 26 28 BRANCH 26 36 ATOM 36 C LIG 1 -1.393 -2.488 2.120 0.00 0.00 +0.012 C ATOM 37 C LIG 1 -1.175 -2.411 3.636 0.00 0.00 +0.009 C ATOM 38 C LIG 1 -2.727 -3.192 1.842 0.00 0.00 +0.009 C ENDBRANCH 26 36 ENDBRANCH 1 26 TORSDOF 7