REMARK Name = BDB015220 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.469 -0.964 0.848 0.00 0.00 +0.119 A ATOM 2 N LIG 1 0.195 -0.665 2.132 0.00 0.00 -0.240 NA ATOM 3 C LIG 1 -1.068 -0.310 2.440 0.00 0.00 +0.113 A ATOM 4 C LIG 1 -2.097 -0.242 1.520 0.00 0.00 +0.031 A ATOM 5 C LIG 1 -1.838 -0.562 0.182 0.00 0.00 +0.024 A ATOM 6 C LIG 1 -0.520 -0.933 -0.133 0.00 0.00 +0.055 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -2.897 -0.516 -0.846 0.00 0.00 +0.162 A ATOM 8 N LIG 1 -4.138 -0.188 -0.430 0.00 0.00 -0.210 NA ATOM 9 C LIG 1 -5.039 -0.168 -1.427 0.00 0.00 +0.145 A ATOM 10 C LIG 1 -4.787 -0.443 -2.763 0.00 0.00 +0.037 A ATOM 11 C LIG 1 -6.013 -0.305 -3.461 0.00 0.00 +0.031 A ATOM 12 C LIG 1 -6.976 0.047 -2.540 0.00 0.00 +0.088 A ATOM 13 C LIG 1 -3.476 -0.768 -3.088 0.00 0.00 +0.124 A ATOM 14 N LIG 1 -6.376 0.128 -1.303 0.00 0.00 -0.329 N ATOM 15 N LIG 1 -2.534 -0.801 -2.119 0.00 0.00 -0.235 NA BRANCH 14 16 ATOM 16 C LIG 1 -7.077 0.477 -0.071 0.00 0.00 +0.091 C ATOM 17 C LIG 1 -6.570 1.783 0.552 0.00 0.00 +0.040 C ATOM 18 C LIG 1 -7.341 2.097 1.831 0.00 0.00 +0.083 C ATOM 19 N LIG 1 -7.282 0.991 2.788 0.00 0.00 -0.316 NA ATOM 20 H LIG 1 -6.311 0.836 3.061 0.00 0.00 +0.122 HD ATOM 21 C LIG 1 -7.824 -0.243 2.218 0.00 0.00 +0.083 C ATOM 22 C LIG 1 -7.075 -0.662 0.957 0.00 0.00 +0.040 C ENDBRANCH 14 16 ENDBRANCH 5 7 BRANCH 1 23 ATOM 23 N LIG 1 1.762 -1.371 0.466 0.00 0.00 -0.327 N ATOM 24 H LIG 1 2.038 -0.803 -0.337 0.00 0.00 +0.148 HD BRANCH 23 25 ATOM 25 C LIG 1 2.768 -1.242 1.521 0.00 0.00 +0.135 C BRANCH 25 26 ATOM 26 C LIG 1 4.113 -1.872 1.101 0.00 0.00 +0.145 C BRANCH 26 27 ATOM 27 O LIG 1 5.084 -1.729 2.149 0.00 0.00 -0.389 OA ATOM 28 H LIG 1 4.705 -2.135 2.947 0.00 0.00 +0.210 HD ENDBRANCH 26 27 BRANCH 26 29 ATOM 29 C LIG 1 4.689 -1.334 -0.235 0.00 0.00 +0.117 C BRANCH 29 30 ATOM 30 N LIG 1 4.573 0.125 -0.450 0.00 0.00 -0.295 NA ATOM 31 C LIG 1 5.501 0.902 0.397 0.00 0.00 +0.120 C ATOM 32 C LIG 1 6.946 0.904 -0.061 0.00 0.00 -0.030 A ATOM 33 C LIG 1 7.281 0.634 -1.401 0.00 0.00 -0.042 A ATOM 34 C LIG 1 8.621 0.684 -1.807 0.00 0.00 +0.004 A ATOM 35 C LIG 1 9.621 1.021 -0.896 0.00 0.00 +0.000 A ATOM 36 C LIG 1 9.291 1.303 0.428 0.00 0.00 +0.000 A ATOM 37 C LIG 1 6.211 0.223 -2.381 0.00 0.00 +0.051 C ATOM 38 C LIG 1 7.961 1.248 0.843 0.00 0.00 +0.005 A ATOM 39 C LIG 1 4.793 0.497 -1.859 0.00 0.00 +0.089 C ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 25 26 ENDBRANCH 23 25 ENDBRANCH 1 23 TORSDOF 8