REMARK Name = BDB021079 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.909 0.947 -0.188 0.00 0.00 -0.283 N ATOM 2 C LIG 1 -0.558 0.641 0.144 0.00 0.00 +0.038 A ATOM 3 C LIG 1 0.511 1.480 -0.233 0.00 0.00 -0.025 A ATOM 4 C LIG 1 1.843 1.131 0.074 0.00 0.00 +0.014 A ATOM 5 C LIG 1 2.155 -0.039 0.780 0.00 0.00 -0.017 A ATOM 6 C LIG 1 1.093 -0.862 1.166 0.00 0.00 +0.010 A ATOM 7 C LIG 1 0.271 2.757 -0.992 0.00 0.00 +0.038 C ATOM 8 C LIG 1 -1.167 3.212 -0.839 0.00 0.00 +0.024 C ATOM 9 C LIG 1 -0.231 -0.528 0.851 0.00 0.00 +0.024 A ATOM 10 C LIG 1 -2.094 2.046 -1.143 0.00 0.00 +0.113 C ENDROOT BRANCH 1 20 ATOM 11 C LIG 1 -5.171 -1.056 -4.417 0.00 0.00 +0.109 C ATOM 12 C LIG 1 -6.193 -1.140 -3.311 0.00 0.00 +0.213 C ATOM 13 N LIG 1 -5.788 -0.754 -2.039 0.00 0.00 -0.294 N ATOM 14 C LIG 1 -4.539 -0.025 -1.796 0.00 0.00 +0.164 C ATOM 15 C LIG 1 -4.152 -0.063 -0.365 0.00 0.00 +0.078 A ATOM 16 N LIG 1 -4.954 -0.611 0.605 0.00 0.00 -0.327 N ATOM 17 C LIG 1 -4.295 -0.550 1.796 0.00 0.00 +0.115 A ATOM 18 N LIG 1 -3.118 0.012 1.647 0.00 0.00 -0.217 NA ATOM 19 C LIG 1 -6.246 -1.205 0.343 0.00 0.00 +0.142 C ATOM 20 C LIG 1 -3.016 0.332 0.316 0.00 0.00 +0.149 A ATOM 21 C LIG 1 -6.800 -0.695 -0.980 0.00 0.00 +0.129 C ATOM 22 O LIG 1 -7.329 -1.550 -3.549 0.00 0.00 -0.276 OA BRANCH 17 23 ATOM 23 C LIG 1 -4.818 -1.088 3.158 0.00 0.00 +0.055 C ATOM 24 C LIG 1 -5.844 -0.285 3.913 0.00 0.00 +0.012 C ATOM 25 C LIG 1 -4.434 -0.362 4.420 0.00 0.00 +0.012 C ENDBRANCH 17 23 ENDBRANCH 1 20 BRANCH 5 26 ATOM 26 C LIG 1 3.546 -0.385 1.107 0.00 0.00 -0.013 A ATOM 27 C LIG 1 4.535 -0.440 0.115 0.00 0.00 +0.052 A ATOM 28 C LIG 1 5.854 -0.769 0.437 0.00 0.00 +0.122 A ATOM 29 N LIG 1 6.207 -1.050 1.709 0.00 0.00 -0.240 NA ATOM 30 C LIG 1 5.252 -0.996 2.662 0.00 0.00 +0.113 A ATOM 31 C LIG 1 3.931 -0.673 2.416 0.00 0.00 +0.028 A BRANCH 28 32 ATOM 32 N LIG 1 6.822 -0.810 -0.588 0.00 0.00 -0.311 N ATOM 33 C LIG 1 7.016 0.529 -1.197 0.00 0.00 +0.134 C ATOM 34 C LIG 1 8.418 0.648 -1.815 0.00 0.00 +0.178 C ATOM 35 O LIG 1 9.474 0.493 -0.854 0.00 0.00 -0.377 OA ATOM 36 C LIG 1 9.142 -0.423 0.208 0.00 0.00 +0.178 C ATOM 37 C LIG 1 8.093 -1.466 -0.201 0.00 0.00 +0.134 C ENDBRANCH 28 32 ENDBRANCH 5 26 TORSDOF 4