REMARK Name = BDB005051 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.965 -2.083 -0.083 0.00 0.00 -0.026 A ATOM 2 C LIG 1 -0.998 -1.074 0.086 0.00 0.00 +0.028 A ATOM 3 C LIG 1 0.231 -1.101 -0.593 0.00 0.00 +0.033 A ATOM 4 C LIG 1 0.479 -2.170 -1.459 0.00 0.00 +0.023 A ATOM 5 C LIG 1 -0.471 -3.178 -1.647 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -1.685 -3.136 -0.963 0.00 0.00 +0.005 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -3.079 -2.071 2.173 0.00 0.00 +0.033 C ATOM 8 C LIG 1 -3.299 -2.038 0.656 0.00 0.00 +0.099 C BRANCH 8 9 ATOM 9 N LIG 1 -3.997 -0.810 0.254 0.00 0.00 -0.322 N ATOM 10 H LIG 1 -3.804 -0.602 -0.724 0.00 0.00 +0.148 HD BRANCH 9 11 ATOM 11 C LIG 1 -5.400 -0.791 0.420 0.00 0.00 +0.130 A ATOM 12 C LIG 1 -6.118 0.366 0.051 0.00 0.00 +0.041 A ATOM 13 C LIG 1 -7.511 0.307 0.215 0.00 0.00 +0.088 A ATOM 14 C LIG 1 -8.246 1.437 -0.165 0.00 0.00 +0.063 A ATOM 15 C LIG 1 -7.652 2.604 -0.669 0.00 0.00 +0.015 A ATOM 16 C LIG 1 -6.275 2.662 -0.806 0.00 0.00 +0.002 A ATOM 17 N LIG 1 -8.109 -0.778 0.738 0.00 0.00 -0.235 NA ATOM 18 C LIG 1 -7.332 -1.811 1.071 0.00 0.00 +0.223 A ATOM 19 C LIG 1 -5.514 1.551 -0.451 0.00 0.00 +0.013 A ATOM 20 N LIG 1 -6.006 -1.871 0.938 0.00 0.00 -0.220 NA BRANCH 14 21 ATOM 21 C LIG 1 -9.716 1.419 -0.067 0.00 0.00 +0.244 C ATOM 22 O LIG 1 -10.410 0.757 -0.825 0.00 0.00 -0.270 OA ATOM 23 N LIG 1 -10.254 2.234 0.893 0.00 0.00 -0.325 N ATOM 24 H LIG 1 -11.246 2.124 1.061 0.00 0.00 +0.145 HD ATOM 25 H LIG 1 -9.687 2.613 1.639 0.00 0.00 +0.145 HD ENDBRANCH 14 21 ENDBRANCH 9 11 ENDBRANCH 8 9 ENDBRANCH 1 8 BRANCH 3 26 ATOM 26 N LIG 1 1.153 -0.073 -0.336 0.00 0.00 -0.299 N ATOM 27 H LIG 1 0.735 0.852 -0.357 0.00 0.00 +0.154 HD BRANCH 26 28 ATOM 28 C LIG 1 2.512 0.063 -0.625 0.00 0.00 +0.123 A ATOM 29 N LIG 1 2.929 1.320 -0.890 0.00 0.00 -0.240 NA ATOM 30 C LIG 1 4.244 1.510 -1.153 0.00 0.00 +0.117 A ATOM 31 C LIG 1 5.198 0.502 -1.149 0.00 0.00 -0.015 A ATOM 32 C LIG 1 4.751 -0.786 -0.858 0.00 0.00 +0.010 A ATOM 33 C LIG 1 3.401 -1.005 -0.585 0.00 0.00 +0.044 A BRANCH 31 34 ATOM 34 C LIG 1 6.644 0.791 -1.464 0.00 0.00 +0.121 C BRANCH 34 35 ATOM 35 N LIG 1 7.574 0.332 -0.419 0.00 0.00 -0.294 NA ATOM 36 C LIG 1 7.369 1.063 0.854 0.00 0.00 +0.113 C ATOM 37 C LIG 1 8.632 1.060 1.729 0.00 0.00 +0.175 C ATOM 38 O LIG 1 9.732 1.744 1.112 0.00 0.00 -0.377 OA ATOM 39 C LIG 1 9.704 1.680 -0.320 0.00 0.00 +0.175 C ATOM 40 C LIG 1 8.983 0.434 -0.857 0.00 0.00 +0.113 C ENDBRANCH 34 35 ENDBRANCH 31 34 ENDBRANCH 26 28 ENDBRANCH 3 26 TORSDOF 8