REMARK Name = BDB015221 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.278 1.530 -1.012 0.00 0.00 +0.024 A ATOM 2 C LIG 1 -0.095 1.823 -0.965 0.00 0.00 +0.055 A ATOM 3 C LIG 1 -0.591 2.713 -0.020 0.00 0.00 +0.119 A ATOM 4 N LIG 1 0.211 3.360 0.845 0.00 0.00 -0.240 NA ATOM 5 C LIG 1 1.530 3.087 0.795 0.00 0.00 +0.113 A ATOM 6 C LIG 1 2.099 2.194 -0.094 0.00 0.00 +0.031 A ENDROOT BRANCH 1 12 ATOM 7 N LIG 1 4.707 -1.411 -2.692 0.00 0.00 -0.329 N ATOM 8 C LIG 1 3.494 -0.764 -2.682 0.00 0.00 +0.145 A ATOM 9 C LIG 1 2.796 -1.155 -3.814 0.00 0.00 +0.037 A ATOM 10 C LIG 1 1.527 -0.611 -3.973 0.00 0.00 +0.124 A ATOM 11 N LIG 1 1.046 0.249 -3.047 0.00 0.00 -0.235 NA ATOM 12 C LIG 1 1.827 0.569 -1.987 0.00 0.00 +0.162 A ATOM 13 C LIG 1 3.624 -2.055 -4.532 0.00 0.00 +0.031 A ATOM 14 N LIG 1 3.064 0.090 -1.740 0.00 0.00 -0.210 NA ATOM 15 C LIG 1 4.796 -2.195 -3.820 0.00 0.00 +0.088 A BRANCH 7 21 ATOM 16 C LIG 1 5.871 0.474 3.276 0.00 0.00 +0.109 C ATOM 17 C LIG 1 6.781 0.606 2.081 0.00 0.00 +0.212 C ATOM 18 N LIG 1 6.367 0.007 0.898 0.00 0.00 -0.302 N ATOM 19 C LIG 1 5.148 -0.792 0.764 0.00 0.00 +0.110 C ATOM 20 C LIG 1 5.279 -1.873 -0.302 0.00 0.00 +0.044 C ATOM 21 C LIG 1 5.743 -1.323 -1.663 0.00 0.00 +0.092 C ATOM 22 C LIG 1 6.364 0.077 -1.576 0.00 0.00 +0.044 C ATOM 23 C LIG 1 7.178 0.219 -0.298 0.00 0.00 +0.110 C ATOM 24 O LIG 1 7.844 1.220 2.175 0.00 0.00 -0.276 OA ENDBRANCH 7 21 ENDBRANCH 1 12 BRANCH 3 25 ATOM 25 N LIG 1 -1.936 3.046 0.074 0.00 0.00 -0.327 N ATOM 26 H LIG 1 -1.981 3.672 0.877 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 -2.910 1.950 0.146 0.00 0.00 +0.135 C BRANCH 27 28 ATOM 28 C LIG 1 -2.793 1.107 1.433 0.00 0.00 +0.145 C BRANCH 28 29 ATOM 29 O LIG 1 -1.750 0.124 1.302 0.00 0.00 -0.389 OA ATOM 30 H LIG 1 -2.171 -0.623 0.830 0.00 0.00 +0.210 HD ENDBRANCH 28 29 BRANCH 28 31 ATOM 31 C LIG 1 -4.099 0.354 1.786 0.00 0.00 +0.117 C BRANCH 31 32 ATOM 32 N LIG 1 -4.346 -0.779 0.861 0.00 0.00 -0.295 NA ATOM 33 C LIG 1 -5.333 -0.450 -0.191 0.00 0.00 +0.120 C ATOM 34 C LIG 1 -6.776 -0.415 0.268 0.00 0.00 -0.030 A ATOM 35 C LIG 1 -7.185 -1.106 1.422 0.00 0.00 -0.042 A ATOM 36 C LIG 1 -8.532 -1.083 1.806 0.00 0.00 +0.004 A ATOM 37 C LIG 1 -9.472 -0.399 1.037 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -9.074 0.271 -0.117 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -6.170 -1.818 2.279 0.00 0.00 +0.051 C ATOM 40 C LIG 1 -7.733 0.261 -0.503 0.00 0.00 +0.005 A ATOM 41 C LIG 1 -4.815 -1.984 1.575 0.00 0.00 +0.089 C ENDBRANCH 31 32 ENDBRANCH 28 31 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 3 25 TORSDOF 8