REMARK Name = BDB055587 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.796 -1.510 -0.329 0.00 0.00 +0.092 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 -3.147 -1.325 1.001 0.00 0.00 -0.339 N ATOM 3 H LIG 1 -2.134 -1.518 0.957 0.00 0.00 +0.146 HD BRANCH 2 4 ATOM 4 C LIG 1 -3.330 -0.072 1.633 0.00 0.00 +0.038 A ATOM 5 C LIG 1 -2.238 0.743 2.024 0.00 0.00 +0.043 A ATOM 6 C LIG 1 -2.466 1.950 2.714 0.00 0.00 +0.013 A ATOM 7 C LIG 1 -3.765 2.379 2.986 0.00 0.00 +0.001 A ATOM 8 C LIG 1 -4.842 1.596 2.593 0.00 0.00 +0.002 A ATOM 9 C LIG 1 -4.625 0.381 1.934 0.00 0.00 +0.023 A BRANCH 5 10 ATOM 10 C LIG 1 -0.830 0.328 1.740 0.00 0.00 +0.195 C ATOM 11 O LIG 1 -0.531 -0.865 1.701 0.00 0.00 -0.287 OA BRANCH 10 12 ATOM 12 C LIG 1 0.235 1.335 1.506 0.00 0.00 +0.022 A ATOM 13 C LIG 1 0.005 2.476 0.728 0.00 0.00 +0.012 A ATOM 14 C LIG 1 1.023 3.416 0.557 0.00 0.00 +0.001 A ATOM 15 C LIG 1 2.271 3.208 1.144 0.00 0.00 +0.000 A ATOM 16 C LIG 1 2.511 2.056 1.893 0.00 0.00 +0.001 A ATOM 17 C LIG 1 1.497 1.115 2.071 0.00 0.00 +0.012 A ENDBRANCH 10 12 ENDBRANCH 5 10 ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 18 ATOM 18 C LIG 1 -5.111 -2.309 -0.166 0.00 0.00 +0.126 C BRANCH 18 20 ATOM 19 C LIG 1 -6.079 -4.167 1.101 0.00 0.00 +0.213 C ATOM 20 N LIG 1 -4.975 -3.406 0.779 0.00 0.00 -0.314 N ATOM 21 H LIG 1 -4.301 -3.223 1.518 0.00 0.00 +0.149 HD ATOM 22 O LIG 1 -7.151 -4.066 0.513 0.00 0.00 -0.276 OA BRANCH 19 23 ATOM 23 C LIG 1 -5.818 -5.148 2.232 0.00 0.00 +0.095 C BRANCH 23 25 ATOM 24 C LIG 1 -7.777 -6.768 2.064 0.00 0.00 +0.004 C ATOM 25 C LIG 1 -7.097 -5.677 2.881 0.00 0.00 +0.006 C ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 18 20 ENDBRANCH 1 18 BRANCH 1 26 ATOM 26 C LIG 1 -2.849 -2.291 -1.275 0.00 0.00 +0.059 C BRANCH 26 27 ATOM 27 C LIG 1 -1.748 -1.444 -1.874 0.00 0.00 -0.045 A ATOM 28 C LIG 1 -2.038 -0.495 -2.861 0.00 0.00 +0.007 A ATOM 29 C LIG 1 -1.016 0.268 -3.429 0.00 0.00 +0.046 A ATOM 30 C LIG 1 0.310 0.099 -3.030 0.00 0.00 +0.121 A ATOM 31 C LIG 1 0.604 -0.847 -2.050 0.00 0.00 +0.046 A ATOM 32 C LIG 1 -0.419 -1.610 -1.474 0.00 0.00 +0.007 A BRANCH 30 33 ATOM 33 O LIG 1 1.201 0.912 -3.670 0.00 0.00 -0.492 OA BRANCH 33 34 ATOM 34 C LIG 1 2.585 0.845 -3.313 0.00 0.00 +0.235 C BRANCH 34 35 ATOM 35 C LIG 1 2.865 1.667 -2.059 0.00 0.00 +0.100 C BRANCH 35 36 ATOM 36 C LIG 1 4.307 1.725 -1.714 0.00 0.00 +0.086 A ATOM 37 C LIG 1 5.080 0.834 -1.000 0.00 0.00 +0.126 A ATOM 38 C LIG 1 4.839 -0.459 -0.337 0.00 0.00 +0.088 C ATOM 39 O LIG 1 6.347 1.343 -0.926 0.00 0.00 -0.440 OA ATOM 40 C LIG 1 6.279 2.528 -1.613 0.00 0.00 +0.228 A ATOM 41 N LIG 1 5.081 2.796 -2.100 0.00 0.00 -0.214 NA BRANCH 40 42 ATOM 42 C LIG 1 7.510 3.307 -1.713 0.00 0.00 +0.037 A ATOM 43 C LIG 1 7.492 4.545 -2.374 0.00 0.00 +0.013 A ATOM 44 C LIG 1 8.656 5.307 -2.500 0.00 0.00 +0.001 A ATOM 45 C LIG 1 9.856 4.840 -1.967 0.00 0.00 +0.000 A ATOM 46 C LIG 1 9.891 3.615 -1.306 0.00 0.00 +0.001 A ATOM 47 C LIG 1 8.725 2.854 -1.178 0.00 0.00 +0.013 A ENDBRANCH 40 42 ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 30 33 ENDBRANCH 26 27 ENDBRANCH 1 26 TORSDOF 15