REMARK Name = BDB028454 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.592 -3.941 -2.220 0.00 0.00 +0.173 C ATOM 2 N LIG 1 0.299 -3.458 -1.791 0.00 0.00 -0.266 N ATOM 3 C LIG 1 0.033 -2.542 -0.794 0.00 0.00 +0.078 A ATOM 4 C LIG 1 -1.346 -2.381 -0.820 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -1.798 -3.240 -1.841 0.00 0.00 +0.143 A ATOM 6 N LIG 1 -0.803 -3.915 -2.416 0.00 0.00 -0.179 NA ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -2.096 -1.475 0.024 0.00 0.00 -0.014 A ATOM 8 C LIG 1 -2.777 -0.393 -0.554 0.00 0.00 +0.019 A ATOM 9 C LIG 1 -3.477 0.509 0.257 0.00 0.00 +0.012 A ATOM 10 C LIG 1 -3.506 0.315 1.635 0.00 0.00 +0.050 A ATOM 11 C LIG 1 -4.248 1.264 2.480 0.00 0.00 +0.272 A ATOM 12 N LIG 1 -4.874 2.294 1.823 0.00 0.00 -0.242 N ATOM 13 H LIG 1 -5.389 2.962 2.389 0.00 0.00 +0.192 HD ATOM 14 N LIG 1 -4.857 2.519 0.481 0.00 0.00 -0.174 NA ATOM 15 O LIG 1 -4.299 1.129 3.697 0.00 0.00 -0.266 OA ATOM 16 C LIG 1 -2.837 -0.769 2.217 0.00 0.00 +0.014 A ATOM 17 C LIG 1 -4.200 1.690 -0.280 0.00 0.00 +0.083 A ATOM 18 C LIG 1 -2.131 -1.662 1.410 0.00 0.00 +0.009 A BRANCH 17 19 ATOM 19 C LIG 1 -4.171 1.937 -1.793 0.00 0.00 +0.136 C BRANCH 19 20 ATOM 20 N LIG 1 -4.957 3.128 -2.144 0.00 0.00 -0.325 NA ATOM 21 H LIG 1 -5.880 3.023 -1.719 0.00 0.00 +0.119 HD ATOM 22 H LIG 1 -4.556 3.918 -1.633 0.00 0.00 +0.119 HD ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 4 7 BRANCH 3 23 ATOM 23 C LIG 1 1.062 -1.907 0.037 0.00 0.00 +0.022 A ATOM 24 C LIG 1 1.397 -0.542 -0.082 0.00 0.00 +0.102 A ATOM 25 C LIG 1 2.386 0.012 0.751 0.00 0.00 +0.139 A ATOM 26 C LIG 1 3.023 -0.786 1.706 0.00 0.00 +0.047 A ATOM 27 C LIG 1 2.689 -2.135 1.826 0.00 0.00 +0.004 A ATOM 28 C LIG 1 1.717 -2.692 0.998 0.00 0.00 +0.011 A BRANCH 24 29 ATOM 29 C LIG 1 0.743 0.292 -1.054 0.00 0.00 +0.103 C ATOM 30 N LIG 1 0.194 0.949 -1.840 0.00 0.00 -0.191 NA ENDBRANCH 24 29 BRANCH 25 31 ATOM 31 O LIG 1 2.656 1.353 0.590 0.00 0.00 -0.488 OA BRANCH 31 32 ATOM 32 C LIG 1 3.883 1.901 1.114 0.00 0.00 +0.174 C ATOM 33 C LIG 1 4.205 3.339 0.628 0.00 0.00 +0.045 C ATOM 34 C LIG 1 5.687 2.925 0.581 0.00 0.00 +0.007 C ATOM 35 C LIG 1 5.204 1.473 0.420 0.00 0.00 +0.045 C ENDBRANCH 31 32 ENDBRANCH 25 31 ENDBRANCH 3 23 TORSDOF 7