REMARK Name = BDB004624 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.799 -0.264 0.594 0.00 0.00 -0.324 N ATOM 2 H LIG 1 1.468 -0.462 -0.346 0.00 0.00 +0.148 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 3.045 0.393 0.518 0.00 0.00 +0.130 A ATOM 4 C LIG 1 4.097 -0.198 -0.213 0.00 0.00 +0.041 A ATOM 5 C LIG 1 5.311 0.515 -0.262 0.00 0.00 +0.088 A ATOM 6 C LIG 1 6.371 -0.052 -1.002 0.00 0.00 +0.063 A ATOM 7 C LIG 1 6.226 -1.291 -1.658 0.00 0.00 +0.015 A ATOM 8 C LIG 1 5.033 -1.991 -1.589 0.00 0.00 +0.002 A ATOM 9 N LIG 1 5.436 1.695 0.388 0.00 0.00 -0.235 NA ATOM 10 C LIG 1 4.382 2.147 1.077 0.00 0.00 +0.223 A ATOM 11 C LIG 1 3.977 -1.448 -0.871 0.00 0.00 +0.013 A ATOM 12 N LIG 1 3.194 1.554 1.175 0.00 0.00 -0.220 NA BRANCH 6 13 ATOM 13 C LIG 1 7.711 0.598 -1.147 0.00 0.00 +0.244 C ATOM 14 O LIG 1 8.615 0.072 -1.788 0.00 0.00 -0.270 OA ATOM 15 N LIG 1 7.918 1.805 -0.547 0.00 0.00 -0.325 N ATOM 16 H LIG 1 8.825 2.242 -0.623 0.00 0.00 +0.145 HD ATOM 17 H LIG 1 7.188 2.243 0.007 0.00 0.00 +0.145 HD ENDBRANCH 6 13 ENDBRANCH 1 3 BRANCH 1 18 ATOM 18 C LIG 1 0.776 0.433 1.363 0.00 0.00 +0.138 C BRANCH 18 21 ATOM 19 C LIG 1 -2.750 -0.711 0.419 0.00 0.00 +0.121 A ATOM 20 C LIG 1 -1.570 0.038 0.492 0.00 0.00 +0.050 A ATOM 21 C LIG 1 -0.502 -0.372 1.303 0.00 0.00 -0.027 A ATOM 22 C LIG 1 -0.627 -1.560 2.034 0.00 0.00 +0.005 A ATOM 23 C LIG 1 -1.800 -2.311 1.964 0.00 0.00 +0.004 A ATOM 24 C LIG 1 -2.860 -1.888 1.158 0.00 0.00 +0.045 A BRANCH 19 25 ATOM 25 O LIG 1 -3.703 -0.187 -0.410 0.00 0.00 -0.491 OA BRANCH 25 26 ATOM 26 C LIG 1 -4.957 -0.869 -0.477 0.00 0.00 +0.244 C BRANCH 26 27 ATOM 27 C LIG 1 -5.909 -0.118 -1.431 0.00 0.00 +0.124 C BRANCH 27 29 ATOM 28 C LIG 1 -7.456 0.907 0.162 0.00 0.00 +0.104 C ATOM 29 N LIG 1 -6.546 1.126 -0.959 0.00 0.00 -0.305 NA ATOM 30 C LIG 1 -5.575 2.171 -0.641 0.00 0.00 +0.104 C ENDBRANCH 27 29 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 19 25 ENDBRANCH 18 21 ENDBRANCH 1 18 TORSDOF 8