REMARK Name = BDB004970 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.110 1.951 -2.644 0.00 0.00 -0.029 A ATOM 2 C LIG 1 0.915 1.703 -1.945 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -0.042 0.821 -2.449 0.00 0.00 +0.034 A ATOM 4 C LIG 1 0.206 0.175 -3.667 0.00 0.00 +0.023 A ATOM 5 C LIG 1 1.389 0.410 -4.370 0.00 0.00 +0.002 A ATOM 6 C LIG 1 2.337 1.294 -3.861 0.00 0.00 +0.005 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -1.257 0.516 -1.796 0.00 0.00 -0.281 N ATOM 8 H LIG 1 -1.848 -0.148 -2.280 0.00 0.00 +0.155 HD ATOM 9 C LIG 1 -1.755 1.095 -0.641 0.00 0.00 +0.250 C ATOM 10 O LIG 1 -1.279 2.037 -0.021 0.00 0.00 -0.270 OA BRANCH 9 11 ATOM 11 C LIG 1 -3.028 0.520 -0.149 0.00 0.00 +0.055 A ATOM 12 C LIG 1 -3.305 -0.834 -0.216 0.00 0.00 +0.126 A ATOM 13 N LIG 1 -4.463 -1.393 0.214 0.00 0.00 -0.240 NA ATOM 14 C LIG 1 -5.400 -0.598 0.781 0.00 0.00 +0.121 A ATOM 15 C LIG 1 -5.180 0.778 0.890 0.00 0.00 +0.044 A ATOM 16 C LIG 1 -3.986 1.341 0.432 0.00 0.00 +0.018 A BRANCH 14 17 ATOM 17 N LIG 1 -6.594 -1.167 1.204 0.00 0.00 -0.311 N ATOM 18 C LIG 1 -6.776 -2.596 0.904 0.00 0.00 +0.134 C ATOM 19 C LIG 1 -8.169 -3.040 1.378 0.00 0.00 +0.178 C ATOM 20 O LIG 1 -8.383 -2.880 2.789 0.00 0.00 -0.377 OA ATOM 21 C LIG 1 -7.519 -1.904 3.387 0.00 0.00 +0.178 C ATOM 22 C LIG 1 -7.200 -0.711 2.469 0.00 0.00 +0.134 C ENDBRANCH 14 17 ENDBRANCH 9 11 ENDBRANCH 3 7 BRANCH 1 23 ATOM 23 C LIG 1 3.133 2.917 -2.088 0.00 0.00 +0.138 C BRANCH 23 24 ATOM 24 N LIG 1 4.413 2.256 -1.836 0.00 0.00 -0.324 N ATOM 25 H LIG 1 5.176 2.927 -1.851 0.00 0.00 +0.148 HD BRANCH 24 29 ATOM 26 C LIG 1 6.889 -0.664 1.135 0.00 0.00 +0.063 A ATOM 27 C LIG 1 5.727 0.087 0.857 0.00 0.00 +0.088 A ATOM 28 C LIG 1 5.675 0.773 -0.372 0.00 0.00 +0.041 A ATOM 29 C LIG 1 4.510 1.526 -0.629 0.00 0.00 +0.130 A ATOM 30 N LIG 1 3.493 1.581 0.241 0.00 0.00 -0.220 NA ATOM 31 C LIG 1 3.626 0.887 1.368 0.00 0.00 +0.223 A ATOM 32 C LIG 1 6.753 0.679 -1.289 0.00 0.00 +0.013 A ATOM 33 C LIG 1 7.886 -0.068 -0.997 0.00 0.00 +0.002 A ATOM 34 N LIG 1 4.689 0.156 1.722 0.00 0.00 -0.235 NA ATOM 35 C LIG 1 7.955 -0.734 0.215 0.00 0.00 +0.015 A BRANCH 26 39 ATOM 36 N LIG 1 6.096 -1.405 3.342 0.00 0.00 -0.325 N ATOM 37 H LIG 1 6.207 -1.940 4.191 0.00 0.00 +0.145 HD ATOM 38 H LIG 1 5.236 -0.891 3.175 0.00 0.00 +0.145 HD ATOM 39 C LIG 1 7.084 -1.436 2.403 0.00 0.00 +0.244 C ATOM 40 O LIG 1 8.104 -2.086 2.609 0.00 0.00 -0.270 OA ENDBRANCH 26 39 ENDBRANCH 24 29 ENDBRANCH 23 24 ENDBRANCH 1 23 TORSDOF 7