REMARK Name = BDB060860 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 S LIG 1 -1.506 -4.016 -0.453 0.00 0.00 -0.009 S ENDROOT BRANCH 1 5 ATOM 2 C LIG 1 1.416 -1.650 -1.155 0.00 0.00 +0.163 A ATOM 3 N LIG 1 0.852 -2.748 -0.551 0.00 0.00 -0.316 N ATOM 4 H LIG 1 1.198 -3.241 0.258 0.00 0.00 +0.169 HD ATOM 5 C LIG 1 -0.367 -2.913 -1.128 0.00 0.00 +0.200 A ATOM 6 N LIG 1 -0.514 -2.056 -2.109 0.00 0.00 -0.122 NA ATOM 7 N LIG 1 0.618 -1.273 -2.140 0.00 0.00 -0.128 NA BRANCH 2 9 ATOM 8 C LIG 1 3.131 -0.925 0.578 0.00 0.00 -0.007 A ATOM 9 C LIG 1 2.684 -1.024 -0.765 0.00 0.00 +0.027 A ATOM 10 C LIG 1 3.479 -0.484 -1.793 0.00 0.00 +0.012 A ATOM 11 C LIG 1 4.708 0.116 -1.517 0.00 0.00 +0.001 A ATOM 12 C LIG 1 5.157 0.199 -0.205 0.00 0.00 +0.001 A ATOM 13 C LIG 1 4.375 -0.314 0.831 0.00 0.00 +0.009 A BRANCH 8 17 ATOM 14 C LIG 1 0.772 -2.424 3.825 0.00 0.00 +0.000 A ATOM 15 C LIG 1 2.001 -3.007 3.530 0.00 0.00 +0.001 A ATOM 16 C LIG 1 2.782 -2.503 2.487 0.00 0.00 +0.008 A ATOM 17 C LIG 1 2.342 -1.409 1.724 0.00 0.00 -0.017 A ATOM 18 C LIG 1 1.112 -0.817 2.055 0.00 0.00 +0.008 A ATOM 19 C LIG 1 0.327 -1.327 3.090 0.00 0.00 +0.001 A ENDBRANCH 8 17 ENDBRANCH 2 9 ENDBRANCH 1 5 BRANCH 1 20 ATOM 20 S LIG 1 -3.265 -3.094 -1.004 0.00 0.00 -0.009 S BRANCH 20 21 ATOM 21 C LIG 1 -3.189 -1.738 0.056 0.00 0.00 +0.200 A ATOM 22 N LIG 1 -2.567 -0.591 -0.326 0.00 0.00 -0.316 N ATOM 23 H LIG 1 -2.080 -0.452 -1.201 0.00 0.00 +0.169 HD ATOM 24 C LIG 1 -2.641 0.266 0.744 0.00 0.00 +0.163 A ATOM 25 N LIG 1 -3.287 -0.362 1.717 0.00 0.00 -0.128 NA ATOM 26 N LIG 1 -3.641 -1.621 1.278 0.00 0.00 -0.122 NA BRANCH 24 27 ATOM 27 C LIG 1 -2.036 1.605 0.821 0.00 0.00 +0.027 A ATOM 28 C LIG 1 -1.736 2.416 -0.300 0.00 0.00 -0.007 A ATOM 29 C LIG 1 -1.100 3.658 -0.089 0.00 0.00 +0.009 A ATOM 30 C LIG 1 -0.783 4.108 1.192 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -1.104 3.327 2.293 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -1.726 2.092 2.108 0.00 0.00 +0.012 A BRANCH 28 33 ATOM 33 C LIG 1 -2.079 2.052 -1.684 0.00 0.00 -0.017 A ATOM 34 C LIG 1 -1.079 1.673 -2.592 0.00 0.00 +0.008 A ATOM 35 C LIG 1 -1.406 1.293 -3.895 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -2.736 1.299 -4.310 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -3.740 1.681 -3.424 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -3.414 2.059 -2.119 0.00 0.00 +0.008 A ENDBRANCH 28 33 ENDBRANCH 24 27 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 7