REMARK Name = BDB004375 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.247 -0.593 0.411 0.00 0.00 +0.089 C ATOM 2 C LIG 1 0.166 0.011 0.485 0.00 0.00 +0.028 C ATOM 3 C LIG 1 1.132 -1.020 1.073 0.00 0.00 +0.090 C ATOM 4 C LIG 1 0.727 -1.288 2.535 0.00 0.00 +0.093 C ATOM 5 N LIG 1 -0.724 -1.286 2.769 0.00 0.00 -0.315 NA ATOM 6 H LIG 1 -0.959 -1.915 3.535 0.00 0.00 +0.122 HD ATOM 7 C LIG 1 -1.525 -1.562 1.582 0.00 0.00 +0.093 C ENDROOT BRANCH 1 10 ATOM 8 N LIG 1 -3.571 -0.005 -0.033 0.00 0.00 -0.310 N ATOM 9 H LIG 1 -3.756 -1.000 0.015 0.00 0.00 +0.149 HD ATOM 10 C LIG 1 -2.321 0.485 0.281 0.00 0.00 +0.218 C ATOM 11 O LIG 1 -2.095 1.687 0.385 0.00 0.00 -0.275 OA BRANCH 8 12 ATOM 12 C LIG 1 -4.761 0.850 -0.067 0.00 0.00 +0.099 C BRANCH 12 13 ATOM 13 C LIG 1 -5.780 0.223 -1.038 0.00 0.00 +0.182 C BRANCH 13 14 ATOM 14 O LIG 1 -6.073 -1.122 -0.628 0.00 0.00 -0.378 OA BRANCH 14 16 ATOM 15 C LIG 1 -7.277 -3.148 -1.001 0.00 0.00 +0.034 C ATOM 16 C LIG 1 -7.035 -1.733 -1.487 0.00 0.00 +0.156 C ENDBRANCH 14 16 ENDBRANCH 13 14 ENDBRANCH 12 13 BRANCH 12 17 ATOM 17 C LIG 1 -5.321 1.011 1.366 0.00 0.00 +0.027 C BRANCH 17 18 ATOM 18 C LIG 1 -5.923 2.389 1.716 0.00 0.00 -0.015 C ATOM 19 C LIG 1 -4.860 3.489 1.753 0.00 0.00 +0.007 C ATOM 20 C LIG 1 -7.079 2.795 0.806 0.00 0.00 +0.007 C ENDBRANCH 17 18 ENDBRANCH 12 17 ENDBRANCH 8 12 ENDBRANCH 1 10 BRANCH 3 21 ATOM 21 C LIG 1 2.577 -0.519 0.969 0.00 0.00 +0.225 C ATOM 22 N LIG 1 3.294 -0.863 -0.197 0.00 0.00 -0.253 N ATOM 23 O LIG 1 3.038 0.162 1.889 0.00 0.00 -0.275 OA BRANCH 22 24 ATOM 24 C LIG 1 4.658 -0.425 -0.356 0.00 0.00 +0.128 A ATOM 25 N LIG 1 5.496 -1.222 -1.068 0.00 0.00 -0.240 NA ATOM 26 C LIG 1 6.779 -0.827 -1.237 0.00 0.00 +0.116 A ATOM 27 C LIG 1 7.310 0.358 -0.746 0.00 0.00 -0.027 A ATOM 28 C LIG 1 6.435 1.181 -0.041 0.00 0.00 +0.009 A ATOM 29 C LIG 1 5.107 0.791 0.153 0.00 0.00 +0.044 A BRANCH 27 30 ATOM 30 C LIG 1 8.758 0.717 -0.989 0.00 0.00 +0.014 C ATOM 31 C LIG 1 8.883 1.967 -1.864 0.00 0.00 +0.012 C ATOM 32 C LIG 1 9.526 0.893 0.323 0.00 0.00 +0.012 C ENDBRANCH 27 30 ENDBRANCH 22 24 BRANCH 22 33 ATOM 33 C LIG 1 2.861 -1.949 -1.068 0.00 0.00 +0.083 C ATOM 34 C LIG 1 1.701 -1.811 -2.032 0.00 0.00 +0.025 C ATOM 35 C LIG 1 3.086 -1.940 -2.567 0.00 0.00 +0.025 C ENDBRANCH 22 33 ENDBRANCH 3 21 TORSDOF 11