REMARK Name = BDB008743 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.375 1.451 -0.096 0.00 0.00 +0.127 A ATOM 2 N LIG 1 -0.051 1.210 -0.067 0.00 0.00 -0.224 NA ATOM 3 C LIG 1 0.343 -0.077 -0.156 0.00 0.00 +0.116 A ATOM 4 C LIG 1 -0.525 -1.148 -0.260 0.00 0.00 +0.047 A ATOM 5 C LIG 1 -1.899 -0.894 -0.282 0.00 0.00 +0.008 A ATOM 6 C LIG 1 -2.319 0.441 -0.224 0.00 0.00 +0.054 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -2.849 -1.992 -0.422 0.00 0.00 +0.100 A ATOM 8 C LIG 1 -3.903 -2.285 0.435 0.00 0.00 +0.113 A ATOM 9 C LIG 1 -4.734 -3.353 0.133 0.00 0.00 +0.115 A ATOM 10 C LIG 1 -5.700 -3.391 1.163 0.00 0.00 +0.086 A ATOM 11 N LIG 1 -5.488 -2.432 2.072 0.00 0.00 -0.174 NA ATOM 12 C LIG 1 -6.827 -4.341 1.306 0.00 0.00 +0.070 C ATOM 13 N LIG 1 -4.577 -4.146 -0.948 0.00 0.00 -0.229 NA ATOM 14 C LIG 1 -3.531 -3.816 -1.717 0.00 0.00 +0.127 A ATOM 15 C LIG 1 -3.270 -4.677 -2.914 0.00 0.00 +0.088 C ATOM 16 N LIG 1 -4.388 -1.789 1.619 0.00 0.00 -0.263 N ATOM 17 C LIG 1 -3.852 -0.725 2.435 0.00 0.00 +0.173 C ATOM 18 N LIG 1 -2.667 -2.805 -1.493 0.00 0.00 -0.230 NA ENDBRANCH 5 7 BRANCH 1 20 ATOM 19 C LIG 1 -2.928 3.375 0.200 0.00 0.00 +0.235 C ATOM 20 N LIG 1 -1.690 2.806 0.005 0.00 0.00 -0.269 N ATOM 21 H LIG 1 -0.863 3.387 0.030 0.00 0.00 +0.156 HD ATOM 22 O LIG 1 -3.962 2.743 0.422 0.00 0.00 -0.274 OA BRANCH 19 23 ATOM 23 C LIG 1 -2.907 4.929 0.229 0.00 0.00 +0.137 C ATOM 24 C LIG 1 -2.251 5.512 -1.021 0.00 0.00 +0.034 C BRANCH 23 26 ATOM 25 C LIG 1 -4.416 6.611 1.137 0.00 0.00 +0.101 C ATOM 26 N LIG 1 -4.299 5.424 0.303 0.00 0.00 -0.309 NA ATOM 27 H LIG 1 -4.880 4.674 0.697 0.00 0.00 +0.122 HD ENDBRANCH 23 26 ENDBRANCH 19 23 ENDBRANCH 1 20 BRANCH 3 28 ATOM 28 C LIG 1 1.757 -0.271 -0.129 0.00 0.00 -0.041 C ATOM 29 C LIG 1 2.947 -0.431 -0.107 0.00 0.00 -0.060 C BRANCH 29 30 ATOM 30 C LIG 1 4.365 -0.616 -0.085 0.00 0.00 +0.026 A ATOM 31 C LIG 1 5.184 0.160 -0.906 0.00 0.00 +0.026 A ATOM 32 C LIG 1 6.574 -0.018 -0.886 0.00 0.00 -0.000 A ATOM 33 C LIG 1 7.421 0.799 -1.749 0.00 0.00 +0.015 A ATOM 34 C LIG 1 8.746 0.632 -1.733 0.00 0.00 +0.071 A ATOM 35 C LIG 1 9.402 -0.368 -0.858 0.00 0.00 +0.252 A ATOM 36 N LIG 1 8.579 -1.137 -0.043 0.00 0.00 -0.311 N ATOM 37 C LIG 1 9.201 -2.125 0.823 0.00 0.00 +0.152 C ATOM 38 O LIG 1 10.628 -0.460 -0.902 0.00 0.00 -0.268 OA ATOM 39 C LIG 1 7.158 -0.979 -0.040 0.00 0.00 +0.052 A ATOM 40 C LIG 1 6.322 -1.751 0.779 0.00 0.00 +0.027 A ATOM 41 C LIG 1 4.934 -1.570 0.757 0.00 0.00 +0.019 A ENDBRANCH 29 30 ENDBRANCH 3 28 TORSDOF 6