REMARK Name = BDB038363 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.034 0.288 -0.499 0.00 0.00 -0.280 N ATOM 2 H LIG 1 0.356 0.322 -1.256 0.00 0.00 +0.155 HD ATOM 3 C LIG 1 0.630 -0.497 0.560 0.00 0.00 +0.267 C ATOM 4 O LIG 1 1.264 -0.774 1.567 0.00 0.00 -0.268 OA ENDROOT BRANCH 3 5 ATOM 5 C LIG 1 -0.757 -1.054 0.309 0.00 0.00 +0.133 A ATOM 6 N LIG 1 -1.402 -0.694 -0.853 0.00 0.00 -0.229 NA ATOM 7 C LIG 1 -2.594 -1.167 -1.028 0.00 0.00 +0.116 A ATOM 8 N LIG 1 -3.244 -2.003 -0.143 0.00 0.00 -0.295 N ATOM 9 C LIG 1 -2.602 -2.419 1.008 0.00 0.00 +0.255 A ATOM 10 O LIG 1 -3.080 -3.200 1.829 0.00 0.00 -0.268 OA ATOM 11 C LIG 1 -1.263 -1.868 1.237 0.00 0.00 +0.103 A BRANCH 7 12 ATOM 12 C LIG 1 -3.263 -0.764 -2.291 0.00 0.00 +0.055 C ATOM 13 C LIG 1 -2.471 -0.642 -3.578 0.00 0.00 +0.012 C ATOM 14 C LIG 1 -3.439 -1.770 -3.404 0.00 0.00 +0.012 C ENDBRANCH 7 12 BRANCH 8 15 ATOM 15 C LIG 1 -4.634 -2.443 -0.316 0.00 0.00 +0.142 C BRANCH 15 16 ATOM 16 C LIG 1 -5.617 -1.679 0.602 0.00 0.00 +0.106 C BRANCH 16 17 ATOM 17 N LIG 1 -5.674 -0.230 0.303 0.00 0.00 -0.301 NA ATOM 18 C LIG 1 -6.227 0.526 1.442 0.00 0.00 +0.084 C ATOM 19 C LIG 1 -7.733 0.385 1.322 0.00 0.00 +0.017 C ATOM 20 C LIG 1 -7.983 0.270 -0.173 0.00 0.00 +0.017 C ATOM 21 C LIG 1 -6.607 0.068 -0.796 0.00 0.00 +0.084 C ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 8 15 ENDBRANCH 3 5 BRANCH 1 24 ATOM 22 C LIG 1 4.391 1.855 0.100 0.00 0.00 -0.015 A ATOM 23 C LIG 1 3.214 1.118 0.330 0.00 0.00 +0.031 A ATOM 24 C LIG 1 2.242 0.983 -0.666 0.00 0.00 +0.034 A ATOM 25 C LIG 1 2.450 1.584 -1.912 0.00 0.00 +0.023 A ATOM 26 C LIG 1 3.615 2.302 -2.164 0.00 0.00 +0.002 A ATOM 27 C LIG 1 4.574 2.440 -1.165 0.00 0.00 +0.008 A BRANCH 22 29 ATOM 28 C LIG 1 6.085 1.011 1.819 0.00 0.00 +0.027 A ATOM 29 C LIG 1 5.400 2.058 1.159 0.00 0.00 -0.007 A ATOM 30 C LIG 1 5.684 3.387 1.551 0.00 0.00 +0.009 A ATOM 31 C LIG 1 6.601 3.677 2.562 0.00 0.00 +0.001 A ATOM 32 C LIG 1 7.253 2.646 3.217 0.00 0.00 +0.001 A ATOM 33 C LIG 1 6.993 1.327 2.850 0.00 0.00 +0.012 A BRANCH 28 36 ATOM 34 C LIG 1 6.471 -0.520 -0.939 0.00 0.00 +0.152 C ATOM 35 N LIG 1 6.086 -1.063 0.333 0.00 0.00 -0.317 N ATOM 36 C LIG 1 5.908 -0.417 1.532 0.00 0.00 +0.164 A ATOM 37 N LIG 1 5.659 -1.339 2.449 0.00 0.00 -0.129 NA ATOM 38 N LIG 1 5.637 -2.574 1.844 0.00 0.00 -0.138 NA ATOM 39 C LIG 1 5.907 -2.392 0.577 0.00 0.00 +0.225 A ENDBRANCH 28 36 ENDBRANCH 22 29 ENDBRANCH 1 24 TORSDOF 8