REMARK Name = BDB064426 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.968 -0.026 -0.108 0.00 0.00 -0.314 N ATOM 2 C LIG 1 -0.111 -0.096 -1.176 0.00 0.00 +0.166 A ATOM 3 C LIG 1 0.896 0.806 -0.886 0.00 0.00 +0.147 A ATOM 4 C LIG 1 1.937 0.929 -1.826 0.00 0.00 +0.151 A ATOM 5 N LIG 1 1.873 0.159 -2.946 0.00 0.00 -0.205 NA ATOM 6 C LIG 1 0.825 -0.680 -3.103 0.00 0.00 +0.195 A ATOM 7 I LIG 1 0.827 -1.834 -4.861 0.00 0.00 +0.001 I ATOM 8 N LIG 1 0.675 1.412 0.332 0.00 0.00 -0.231 NA ATOM 9 N LIG 1 -0.215 -0.877 -2.261 0.00 0.00 -0.203 NA ATOM 10 C LIG 1 -0.451 0.884 0.773 0.00 0.00 +0.201 A ENDROOT BRANCH 4 11 ATOM 11 N LIG 1 2.997 1.818 -1.621 0.00 0.00 -0.323 N ATOM 12 H LIG 1 2.967 2.149 -0.657 0.00 0.00 +0.148 HD BRANCH 11 13 ATOM 13 C LIG 1 4.305 1.353 -2.047 0.00 0.00 +0.138 C BRANCH 13 14 ATOM 14 C LIG 1 4.869 0.336 -1.080 0.00 0.00 -0.029 A ATOM 15 C LIG 1 5.394 0.743 0.156 0.00 0.00 +0.019 A ATOM 16 C LIG 1 5.886 -0.205 1.054 0.00 0.00 +0.014 A ATOM 17 I LIG 1 6.660 0.410 2.882 0.00 0.00 -0.044 I ATOM 18 C LIG 1 5.860 -1.562 0.736 0.00 0.00 +0.014 A ATOM 19 C LIG 1 5.336 -1.974 -0.488 0.00 0.00 +0.001 A ATOM 20 C LIG 1 4.841 -1.031 -1.390 0.00 0.00 +0.005 A ENDBRANCH 13 14 ENDBRANCH 11 13 ENDBRANCH 4 11 BRANCH 1 21 ATOM 21 C LIG 1 -2.161 -0.848 0.034 0.00 0.00 +0.134 C BRANCH 21 24 ATOM 22 C LIG 1 -5.383 0.540 0.708 0.00 0.00 +0.144 C ATOM 23 C LIG 1 -3.884 0.931 0.734 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -3.150 -0.357 1.059 0.00 0.00 +0.020 C ATOM 25 C LIG 1 -4.168 -1.318 1.629 0.00 0.00 +0.003 C ATOM 26 C LIG 1 -3.035 -0.853 2.494 0.00 0.00 +0.016 C ATOM 27 C LIG 1 -5.505 -0.637 1.688 0.00 0.00 +0.038 C BRANCH 22 28 ATOM 28 O LIG 1 -6.189 1.646 1.108 0.00 0.00 -0.389 OA ATOM 29 H LIG 1 -7.114 1.335 1.148 0.00 0.00 +0.210 HD ENDBRANCH 22 28 BRANCH 23 30 ATOM 30 O LIG 1 -3.633 1.888 1.763 0.00 0.00 -0.389 OA ATOM 31 H LIG 1 -4.474 2.381 1.849 0.00 0.00 +0.210 HD ENDBRANCH 23 30 ENDBRANCH 21 24 ENDBRANCH 1 21 TORSDOF 7