REMARK Name = BDB043057 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.648 0.425 -0.056 0.00 0.00 +0.126 A ATOM 2 N LIG 1 0.386 1.621 0.656 0.00 0.00 -0.200 N ATOM 3 C LIG 1 -0.905 1.955 1.064 0.00 0.00 +0.163 A ATOM 4 C LIG 1 -0.809 3.160 1.733 0.00 0.00 +0.019 A ATOM 5 C LIG 1 0.567 3.473 1.687 0.00 0.00 +0.141 A ATOM 6 N LIG 1 -1.979 1.157 0.794 0.00 0.00 -0.213 NA ATOM 7 C LIG 1 -1.764 0.047 0.133 0.00 0.00 +0.124 A ATOM 8 N LIG 1 1.298 2.560 1.050 0.00 0.00 -0.171 NA ATOM 9 C LIG 1 -0.395 -0.376 -0.329 0.00 0.00 +0.087 A ENDROOT BRANCH 4 10 ATOM 10 C LIG 1 -1.921 3.943 2.364 0.00 0.00 +0.018 C ATOM 11 C LIG 1 -2.079 5.320 1.716 0.00 0.00 +0.012 C ATOM 12 C LIG 1 -1.728 4.080 3.875 0.00 0.00 +0.012 C ENDBRANCH 4 10 BRANCH 1 13 ATOM 13 N LIG 1 1.977 0.182 -0.420 0.00 0.00 -0.323 N ATOM 14 H LIG 1 2.593 0.848 0.061 0.00 0.00 +0.148 HD BRANCH 13 15 ATOM 15 C LIG 1 2.582 -1.142 -0.541 0.00 0.00 +0.160 C BRANCH 15 22 ATOM 16 C LIG 1 9.500 -3.001 -1.537 0.00 0.00 +0.066 C ATOM 17 C LIG 1 8.224 -2.200 -1.615 0.00 0.00 +0.044 A ATOM 18 N LIG 1 7.170 -2.685 -1.029 0.00 0.00 -0.217 NA ATOM 19 C LIG 1 6.028 -1.945 -1.111 0.00 0.00 +0.235 A ATOM 20 N LIG 1 6.004 -0.730 -1.796 0.00 0.00 -0.288 N ATOM 21 C LIG 1 4.726 -0.241 -1.700 0.00 0.00 +0.119 A ATOM 22 C LIG 1 4.022 -1.165 -0.957 0.00 0.00 +0.079 A ATOM 23 C LIG 1 7.133 -0.201 -2.429 0.00 0.00 +0.025 A ATOM 24 C LIG 1 7.036 1.111 -3.145 0.00 0.00 +0.064 C ATOM 25 N LIG 1 4.841 -2.213 -0.606 0.00 0.00 -0.214 NA ATOM 26 C LIG 1 8.278 -0.905 -2.366 0.00 0.00 +0.044 A ENDBRANCH 15 22 ENDBRANCH 13 15 ENDBRANCH 1 13 BRANCH 7 27 ATOM 27 N LIG 1 -2.823 -0.787 -0.162 0.00 0.00 -0.329 N ATOM 28 H LIG 1 -2.675 -1.453 -0.912 0.00 0.00 +0.147 HD BRANCH 27 29 ATOM 29 C LIG 1 -4.205 -0.356 -0.007 0.00 0.00 +0.109 C BRANCH 29 30 ATOM 30 C LIG 1 -5.167 -1.538 -0.179 0.00 0.00 +0.037 C ATOM 31 C LIG 1 -6.637 -1.103 -0.089 0.00 0.00 +0.133 C ATOM 32 C LIG 1 -7.564 -2.319 -0.322 0.00 0.00 +0.112 C ATOM 33 N LIG 1 -7.050 -3.599 0.178 0.00 0.00 -0.314 NA ATOM 34 H LIG 1 -7.830 -4.200 0.444 0.00 0.00 +0.122 HD ATOM 35 C LIG 1 -6.133 -3.420 1.292 0.00 0.00 +0.081 C ATOM 36 C LIG 1 -4.881 -2.659 0.848 0.00 0.00 +0.023 C BRANCH 31 37 ATOM 37 O LIG 1 -6.941 -0.105 -1.062 0.00 0.00 -0.390 OA ATOM 38 H LIG 1 -6.686 0.760 -0.700 0.00 0.00 +0.210 HD ENDBRANCH 31 37 ENDBRANCH 29 30 ENDBRANCH 27 29 ENDBRANCH 7 27 TORSDOF 8