REMARK Name = BDB055480 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.175 -1.689 -0.563 0.00 0.00 +0.127 A ATOM 2 N LIG 1 1.029 -2.083 -1.836 0.00 0.00 -0.200 NA ATOM 3 C LIG 1 1.870 -1.585 -2.742 0.00 0.00 +0.215 A ATOM 4 N LIG 1 2.834 -0.702 -2.490 0.00 0.00 -0.215 NA ATOM 5 C LIG 1 3.001 -0.326 -1.207 0.00 0.00 +0.078 A ATOM 6 C LIG 1 2.176 -0.803 -0.206 0.00 0.00 +0.072 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 4.105 0.630 -0.953 0.00 0.00 +0.003 A ATOM 8 C LIG 1 4.824 0.588 0.275 0.00 0.00 +0.040 A ATOM 9 C LIG 1 5.842 1.548 0.409 0.00 0.00 +0.095 A ATOM 10 C LIG 1 6.114 2.490 -0.648 0.00 0.00 +0.041 A ATOM 11 C LIG 1 7.146 3.283 -0.221 0.00 0.00 +0.119 A ATOM 12 N LIG 1 7.455 2.793 1.022 0.00 0.00 -0.263 N ATOM 13 H LIG 1 8.187 3.116 1.641 0.00 0.00 +0.190 HD ATOM 14 C LIG 1 5.460 2.579 -1.870 0.00 0.00 +0.014 A ATOM 15 N LIG 1 6.681 1.769 1.435 0.00 0.00 -0.172 NA ATOM 16 C LIG 1 4.443 1.603 -1.971 0.00 0.00 +0.011 A BRANCH 11 17 ATOM 17 N LIG 1 7.816 4.318 -0.771 0.00 0.00 -0.343 N ATOM 18 H LIG 1 7.454 4.762 -1.613 0.00 0.00 +0.144 HD ATOM 19 H LIG 1 8.406 4.938 -0.222 0.00 0.00 +0.144 HD ENDBRANCH 11 17 ENDBRANCH 5 7 BRANCH 1 22 ATOM 20 C LIG 1 0.595 -4.635 0.191 0.00 0.00 +0.028 C ATOM 21 C LIG 1 -0.377 -3.456 0.076 0.00 0.00 +0.072 C ATOM 22 N LIG 1 0.319 -2.196 0.439 0.00 0.00 -0.310 N ATOM 23 C LIG 1 -0.511 -1.149 1.071 0.00 0.00 +0.129 C ATOM 24 C LIG 1 -1.971 -1.204 0.585 0.00 0.00 +0.093 C ATOM 25 C LIG 1 -2.601 -2.568 0.913 0.00 0.00 +0.026 C ATOM 26 C LIG 1 -1.563 -3.686 1.025 0.00 0.00 +0.024 C BRANCH 24 27 ATOM 27 N LIG 1 -2.770 -0.122 1.141 0.00 0.00 -0.277 N ATOM 28 H LIG 1 -2.657 0.156 2.107 0.00 0.00 +0.152 HD ATOM 29 C LIG 1 -3.937 0.288 0.570 0.00 0.00 +0.401 C ATOM 30 O LIG 1 -4.360 -0.090 -0.510 0.00 0.00 -0.226 OA BRANCH 29 31 ATOM 31 O LIG 1 -4.542 1.157 1.409 0.00 0.00 -0.445 OA BRANCH 31 32 ATOM 32 C LIG 1 -5.826 1.742 1.069 0.00 0.00 +0.107 C ATOM 33 C LIG 1 -6.914 0.666 0.962 0.00 0.00 +0.055 C ATOM 34 C LIG 1 -5.736 2.593 -0.203 0.00 0.00 +0.055 C ATOM 35 C LIG 1 -6.162 2.662 2.252 0.00 0.00 +0.055 C ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 24 27 ENDBRANCH 1 22 BRANCH 3 36 ATOM 36 N LIG 1 1.691 -1.974 -4.054 0.00 0.00 -0.327 N ATOM 37 H LIG 1 2.059 -1.264 -4.671 0.00 0.00 +0.145 HD ATOM 38 H LIG 1 0.732 -2.259 -4.192 0.00 0.00 +0.145 HD ENDBRANCH 3 36 TORSDOF 7