REMARK Name = BDB024231 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.487 -0.120 0.928 0.00 0.00 +0.171 C ENDROOT BRANCH 1 5 ATOM 2 C LIG 1 -2.251 4.152 0.688 0.00 0.00 +0.120 A ATOM 3 C LIG 1 -2.877 3.260 -0.184 0.00 0.00 +0.046 A ATOM 4 C LIG 1 -2.627 1.888 -0.101 0.00 0.00 +0.009 A ATOM 5 C LIG 1 -1.731 1.382 0.853 0.00 0.00 -0.021 A ATOM 6 C LIG 1 -1.124 2.283 1.741 0.00 0.00 +0.009 A ATOM 7 C LIG 1 -1.377 3.658 1.654 0.00 0.00 +0.046 A BRANCH 2 9 ATOM 8 C LIG 1 -1.983 6.413 1.371 0.00 0.00 +0.277 C ATOM 9 O LIG 1 -2.582 5.465 0.496 0.00 0.00 -0.495 OA ENDBRANCH 2 9 ENDBRANCH 1 5 BRANCH 1 10 ATOM 10 C LIG 1 0.003 -0.451 1.233 0.00 0.00 +0.240 C ATOM 11 N LIG 1 0.804 -0.364 0.114 0.00 0.00 -0.269 N ATOM 12 H LIG 1 0.407 -0.031 -0.755 0.00 0.00 +0.156 HD ATOM 13 O LIG 1 0.384 -0.751 2.364 0.00 0.00 -0.273 OA BRANCH 11 14 ATOM 14 C LIG 1 2.171 -0.608 0.004 0.00 0.00 +0.125 A ATOM 15 N LIG 1 2.649 -0.387 -1.238 0.00 0.00 -0.240 NA ATOM 16 C LIG 1 3.974 -0.598 -1.445 0.00 0.00 +0.121 A ATOM 17 C LIG 1 4.869 -1.025 -0.470 0.00 0.00 +0.003 A ATOM 18 C LIG 1 4.340 -1.251 0.801 0.00 0.00 +0.013 A ATOM 19 C LIG 1 2.979 -1.041 1.043 0.00 0.00 +0.044 A BRANCH 17 20 ATOM 20 C LIG 1 6.277 -1.239 -0.747 0.00 0.00 +0.021 A ATOM 21 C LIG 1 6.996 -0.636 -1.759 0.00 0.00 +0.116 A ATOM 22 N LIG 1 8.276 -1.103 -1.654 0.00 0.00 -0.274 N ATOM 23 C LIG 1 9.400 -0.756 -2.490 0.00 0.00 +0.172 C ATOM 24 N LIG 1 8.447 -1.971 -0.643 0.00 0.00 -0.179 NA ATOM 25 C LIG 1 7.234 -2.050 -0.090 0.00 0.00 +0.143 A ENDBRANCH 17 20 ENDBRANCH 11 14 ENDBRANCH 1 10 BRANCH 1 26 ATOM 26 N LIG 1 -2.386 -0.711 1.940 0.00 0.00 -0.302 NA ATOM 27 H LIG 1 -2.020 -0.442 2.857 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -2.490 -2.173 1.894 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 -2.979 -2.799 0.570 0.00 0.00 +0.050 C BRANCH 29 30 ATOM 30 C LIG 1 -4.241 -2.248 -0.060 0.00 0.00 -0.046 A ATOM 31 C LIG 1 -4.439 -2.427 -1.440 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -5.596 -1.955 -2.066 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -6.580 -1.304 -1.319 0.00 0.00 +0.052 A ATOM 34 C LIG 1 -6.402 -1.134 0.056 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -5.245 -1.610 0.680 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 C LIG 1 -7.766 -0.817 -1.958 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -8.726 -0.426 -2.482 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 10