REMARK Name = BDB024189 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.859 -0.640 1.068 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.256 -2.022 1.287 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.542 -2.758 2.450 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.995 -4.028 2.644 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.162 -4.583 1.675 0.00 0.00 +0.000 A ATOM 6 C LIG 1 0.120 -3.873 0.510 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.428 -2.603 0.315 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -1.521 0.315 2.256 0.00 0.00 +0.240 C ATOM 9 N LIG 1 -0.284 0.865 2.426 0.00 0.00 -0.269 N ATOM 10 H LIG 1 -0.217 1.371 3.298 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 -2.368 0.616 3.112 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 0.829 0.877 1.590 0.00 0.00 +0.125 A ATOM 13 N LIG 1 0.762 0.398 0.338 0.00 0.00 -0.240 NA ATOM 14 C LIG 1 1.883 0.468 -0.426 0.00 0.00 +0.121 A ATOM 15 C LIG 1 3.095 1.007 -0.009 0.00 0.00 +0.003 A ATOM 16 C LIG 1 3.134 1.510 1.290 0.00 0.00 +0.013 A ATOM 17 C LIG 1 1.993 1.449 2.094 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 4.244 1.050 -0.892 0.00 0.00 +0.021 A ATOM 19 C LIG 1 5.562 1.065 -0.484 0.00 0.00 +0.118 A ATOM 20 N LIG 1 6.334 1.114 -1.620 0.00 0.00 -0.251 N ATOM 21 N LIG 1 5.584 1.076 -2.746 0.00 0.00 -0.178 NA ATOM 22 C LIG 1 4.327 1.057 -2.301 0.00 0.00 +0.143 A BRANCH 20 23 ATOM 23 C LIG 1 7.807 1.099 -1.721 0.00 0.00 +0.143 C ATOM 24 C LIG 1 8.289 1.940 -2.921 0.00 0.00 +0.052 C ATOM 25 C LIG 1 8.276 -0.356 -1.897 0.00 0.00 +0.052 C BRANCH 23 26 ATOM 26 C LIG 1 8.430 1.661 -0.500 0.00 0.00 +0.092 C ATOM 27 N LIG 1 8.924 2.089 0.460 0.00 0.00 -0.194 NA ENDBRANCH 23 26 ENDBRANCH 20 23 ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 28 ATOM 28 N LIG 1 -3.342 -0.744 0.956 0.00 0.00 -0.301 NA ATOM 29 H LIG 1 -3.740 0.170 1.184 0.00 0.00 +0.123 HD BRANCH 28 30 ATOM 30 C LIG 1 -3.776 -1.169 -0.378 0.00 0.00 +0.089 C BRANCH 30 32 ATOM 31 C LIG 1 -5.751 -1.853 -1.804 0.00 0.00 +0.014 C ATOM 32 C LIG 1 -5.321 -1.190 -0.489 0.00 0.00 +0.030 C BRANCH 32 33 ATOM 33 C LIG 1 -5.934 0.199 -0.347 0.00 0.00 -0.043 A ATOM 34 C LIG 1 -6.691 0.506 0.794 0.00 0.00 +0.005 A ATOM 35 C LIG 1 -7.251 1.776 0.961 0.00 0.00 +0.019 A ATOM 36 C LIG 1 -7.059 2.758 -0.013 0.00 0.00 +0.052 A ATOM 37 C LIG 1 -6.303 2.466 -1.151 0.00 0.00 +0.019 A ATOM 38 C LIG 1 -5.742 1.196 -1.315 0.00 0.00 +0.005 A BRANCH 36 39 ATOM 39 C LIG 1 -7.632 4.062 0.155 0.00 0.00 +0.099 C ATOM 40 N LIG 1 -8.094 5.118 0.286 0.00 0.00 -0.191 NA ENDBRANCH 36 39 ENDBRANCH 32 33 ENDBRANCH 30 32 ENDBRANCH 28 30 ENDBRANCH 1 28 TORSDOF 11