REMARK Name = BDB026496 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 3.114 0.957 -0.914 0.00 0.00 -0.279 N ATOM 2 C LIG 1 1.865 1.461 -0.570 0.00 0.00 +0.306 C ATOM 3 O LIG 1 1.555 2.641 -0.515 0.00 0.00 -0.252 OA ATOM 4 N LIG 1 1.029 0.380 -0.273 0.00 0.00 -0.274 N ATOM 5 C LIG 1 1.757 -0.883 -0.343 0.00 0.00 +0.125 C ATOM 6 C LIG 1 3.215 -0.444 -0.555 0.00 0.00 +0.137 C ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 1.274 -1.772 -1.477 0.00 0.00 -0.025 A ATOM 8 C LIG 1 1.119 -1.286 -2.785 0.00 0.00 +0.005 A ATOM 9 C LIG 1 0.685 -2.126 -3.812 0.00 0.00 +0.000 A ATOM 10 C LIG 1 0.401 -3.464 -3.546 0.00 0.00 +0.000 A ATOM 11 C LIG 1 0.550 -3.963 -2.254 0.00 0.00 +0.000 A ATOM 12 C LIG 1 0.985 -3.123 -1.226 0.00 0.00 +0.005 A ENDBRANCH 5 7 BRANCH 1 13 ATOM 13 C LIG 1 4.279 1.793 -1.122 0.00 0.00 +0.144 C BRANCH 13 18 ATOM 14 C LIG 1 7.429 2.407 3.742 0.00 0.00 +0.044 C ATOM 15 C LIG 1 6.622 2.269 2.485 0.00 0.00 -0.050 A ATOM 16 C LIG 1 5.434 2.986 2.310 0.00 0.00 +0.003 A ATOM 17 C LIG 1 4.683 2.837 1.142 0.00 0.00 +0.005 A ATOM 18 C LIG 1 5.108 1.970 0.127 0.00 0.00 -0.030 A ATOM 19 C LIG 1 6.296 1.250 0.306 0.00 0.00 +0.005 A ATOM 20 C LIG 1 7.045 1.397 1.475 0.00 0.00 +0.003 A ENDBRANCH 13 18 ENDBRANCH 1 13 BRANCH 4 21 ATOM 21 C LIG 1 -0.188 0.563 0.511 0.00 0.00 +0.142 C BRANCH 21 22 ATOM 22 C LIG 1 -1.250 -0.531 0.332 0.00 0.00 +0.146 C BRANCH 22 23 ATOM 23 O LIG 1 -0.881 -1.698 1.088 0.00 0.00 -0.389 OA ATOM 24 H LIG 1 -1.715 -2.207 1.160 0.00 0.00 +0.210 HD ENDBRANCH 22 23 BRANCH 22 25 ATOM 25 C LIG 1 -2.627 -0.054 0.846 0.00 0.00 +0.117 C BRANCH 25 26 ATOM 26 N LIG 1 -3.632 -1.145 0.786 0.00 0.00 -0.295 NA ATOM 27 C LIG 1 -4.823 -0.810 1.593 0.00 0.00 +0.120 C ATOM 28 C LIG 1 -5.888 -0.055 0.838 0.00 0.00 -0.030 A ATOM 29 C LIG 1 -6.232 -0.528 -0.441 0.00 0.00 -0.042 A ATOM 30 C LIG 1 -7.260 0.079 -1.163 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -7.934 1.171 -0.616 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -7.591 1.649 0.651 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -5.448 -1.705 -0.955 0.00 0.00 +0.051 C ATOM 34 C LIG 1 -6.574 1.033 1.383 0.00 0.00 +0.005 A ATOM 35 C LIG 1 -3.958 -1.500 -0.621 0.00 0.00 +0.089 C ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 21 22 ENDBRANCH 4 21 TORSDOF 8