REMARK Name = BDB059433 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.931 3.016 -1.389 0.00 0.00 +0.047 C ATOM 2 C LIG 1 -2.908 3.827 -0.656 0.00 0.00 -0.007 A ATOM 3 C LIG 1 -1.616 3.151 -0.284 0.00 0.00 +0.145 A ATOM 4 N LIG 1 -0.680 3.909 0.400 0.00 0.00 -0.267 N ATOM 5 C LIG 1 0.527 3.339 0.765 0.00 0.00 +0.268 A ATOM 6 C LIG 1 0.715 1.907 0.402 0.00 0.00 +0.083 A ATOM 7 C LIG 1 -0.267 1.269 -0.271 0.00 0.00 +0.150 A ATOM 8 N LIG 1 -0.074 -0.090 -0.612 0.00 0.00 -0.310 N ATOM 9 C LIG 1 1.069 -0.796 -0.208 0.00 0.00 +0.140 A ATOM 10 N LIG 1 1.153 -2.080 -0.424 0.00 0.00 -0.283 NA ATOM 11 H LIG 1 2.035 -2.453 -0.031 0.00 0.00 +0.188 HD ATOM 12 C LIG 1 2.195 -0.058 0.479 0.00 0.00 +0.079 A ATOM 13 C LIG 1 1.951 1.231 0.772 0.00 0.00 +0.033 A ATOM 14 O LIG 1 1.430 3.940 1.353 0.00 0.00 -0.267 OA ATOM 15 C LIG 1 -0.926 5.239 0.721 0.00 0.00 +0.096 A ATOM 16 C LIG 1 -2.071 5.843 0.389 0.00 0.00 +0.019 A ATOM 17 N LIG 1 -1.434 1.911 -0.611 0.00 0.00 -0.211 NA ATOM 18 C LIG 1 -3.088 5.113 -0.317 0.00 0.00 +0.008 A ENDROOT BRANCH 12 19 ATOM 19 C LIG 1 3.467 -0.732 0.869 0.00 0.00 +0.248 C ATOM 20 N LIG 1 4.581 0.071 0.946 0.00 0.00 -0.307 N ATOM 21 H LIG 1 4.542 1.014 0.586 0.00 0.00 +0.149 HD ATOM 22 O LIG 1 3.500 -1.946 1.047 0.00 0.00 -0.270 OA BRANCH 20 23 ATOM 23 C LIG 1 5.900 -0.484 1.171 0.00 0.00 +0.141 C BRANCH 23 24 ATOM 24 C LIG 1 6.649 -0.637 -0.120 0.00 0.00 -0.012 A ATOM 25 C LIG 1 7.632 0.271 -0.497 0.00 0.00 +0.115 A ATOM 26 N LIG 1 8.328 0.202 -1.654 0.00 0.00 -0.263 NA ATOM 27 C LIG 1 8.032 -0.826 -2.479 0.00 0.00 +0.111 A ATOM 28 C LIG 1 7.071 -1.783 -2.201 0.00 0.00 +0.020 A ATOM 29 C LIG 1 6.370 -1.684 -1.004 0.00 0.00 +0.008 A ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 12 19 BRANCH 8 30 ATOM 30 C LIG 1 -1.146 -0.821 -1.312 0.00 0.00 +0.126 C BRANCH 30 31 ATOM 31 C LIG 1 -2.137 -1.417 -0.307 0.00 0.00 +0.037 C BRANCH 31 32 ATOM 32 C LIG 1 -3.260 -2.161 -1.040 0.00 0.00 +0.086 C BRANCH 32 33 ATOM 33 N LIG 1 -4.277 -2.803 -0.202 0.00 0.00 -0.298 NA ATOM 34 C LIG 1 -3.756 -3.840 0.708 0.00 0.00 +0.112 C ATOM 35 C LIG 1 -3.796 -3.428 2.189 0.00 0.00 +0.175 C ATOM 36 O LIG 1 -5.111 -3.082 2.648 0.00 0.00 -0.377 OA ATOM 37 C LIG 1 -5.951 -2.555 1.612 0.00 0.00 +0.175 C ATOM 38 C LIG 1 -5.157 -1.853 0.499 0.00 0.00 +0.112 C ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 8 30 TORSDOF 7