REMARK Name = BDB053437 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.882 -1.401 -0.044 0.00 0.00 +0.190 C ATOM 2 N LIG 1 -0.069 -1.988 -0.818 0.00 0.00 -0.242 N ATOM 3 C LIG 1 0.079 -3.126 -1.694 0.00 0.00 +0.141 C ATOM 4 C LIG 1 -1.258 -1.345 -0.617 0.00 0.00 +0.271 C ATOM 5 O LIG 1 -2.340 -1.575 -1.122 0.00 0.00 -0.268 OA ATOM 6 C LIG 1 -0.889 -0.293 0.376 0.00 0.00 +0.130 C ATOM 7 C LIG 1 -1.684 0.625 0.940 0.00 0.00 +0.041 C ATOM 8 N LIG 1 0.453 -0.405 0.673 0.00 0.00 -0.213 NA ENDROOT BRANCH 7 9 ATOM 9 C LIG 1 -3.115 0.827 0.700 0.00 0.00 -0.019 A ATOM 10 C LIG 1 -4.007 0.700 1.774 0.00 0.00 +0.057 A ATOM 11 C LIG 1 -5.346 0.928 1.533 0.00 0.00 +0.167 A ATOM 12 O LIG 1 -6.344 0.844 2.454 0.00 0.00 -0.453 OA ATOM 13 C LIG 1 -7.491 1.166 1.641 0.00 0.00 +0.466 C ATOM 14 O LIG 1 -7.159 1.458 0.268 0.00 0.00 -0.453 OA ATOM 15 C LIG 1 -5.811 1.279 0.288 0.00 0.00 +0.166 A ATOM 16 C LIG 1 -4.963 1.423 -0.787 0.00 0.00 +0.050 A ATOM 17 C LIG 1 -3.598 1.199 -0.573 0.00 0.00 +0.012 A ENDBRANCH 7 9 BRANCH 1 18 ATOM 18 N LIG 1 2.168 -1.854 -0.053 0.00 0.00 -0.317 N ATOM 19 H LIG 1 2.445 -2.462 -0.812 0.00 0.00 +0.149 HD BRANCH 18 20 ATOM 20 C LIG 1 3.258 -1.134 0.582 0.00 0.00 +0.104 C BRANCH 20 21 ATOM 21 C LIG 1 3.773 -0.028 -0.341 0.00 0.00 +0.022 C BRANCH 21 23 ATOM 22 C LIG 1 5.207 2.015 -0.628 0.00 0.00 +0.007 C ATOM 23 C LIG 1 4.857 0.854 0.306 0.00 0.00 -0.016 C ATOM 24 C LIG 1 6.122 0.067 0.647 0.00 0.00 +0.007 C ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 18 20 ENDBRANCH 1 18 TORSDOF 5