REMARK Name = BDB038686 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.856 0.312 0.910 0.00 0.00 -0.015 A ATOM 2 C LIG 1 -0.501 -0.034 0.769 0.00 0.00 +0.032 A ATOM 3 C LIG 1 0.444 0.872 0.274 0.00 0.00 +0.038 A ATOM 4 C LIG 1 -0.009 2.148 -0.100 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -1.353 2.544 0.030 0.00 0.00 -0.042 A ATOM 6 C LIG 1 -2.254 1.610 0.558 0.00 0.00 +0.012 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 1.816 0.524 0.141 0.00 0.00 -0.263 N ATOM 8 C LIG 1 2.427 -0.647 0.607 0.00 0.00 +0.251 C ATOM 9 O LIG 1 1.985 -1.579 1.251 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 3.837 -0.587 0.201 0.00 0.00 +0.042 A ATOM 11 C LIG 1 4.052 0.614 -0.464 0.00 0.00 -0.018 A ATOM 12 C LIG 1 5.308 0.928 -0.950 0.00 0.00 +0.006 A ATOM 13 C LIG 1 6.340 0.003 -0.755 0.00 0.00 +0.006 A ATOM 14 C LIG 1 6.117 -1.222 -0.082 0.00 0.00 -0.021 A ATOM 15 C LIG 1 4.839 -1.518 0.408 0.00 0.00 +0.019 A ATOM 16 C LIG 1 2.783 1.394 -0.518 0.00 0.00 +0.149 C BRANCH 14 17 ATOM 17 C LIG 1 7.256 -2.188 0.113 0.00 0.00 +0.191 C BRANCH 17 18 ATOM 18 O LIG 1 8.226 -1.630 0.990 0.00 0.00 -0.390 OA ATOM 19 H LIG 1 7.748 -1.083 1.637 0.00 0.00 +0.210 HD ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 3 7 BRANCH 1 21 ATOM 20 C LIG 1 -3.176 -1.859 0.764 0.00 0.00 +0.028 A ATOM 21 C LIG 1 -2.837 -0.658 1.432 0.00 0.00 -0.007 A ATOM 22 C LIG 1 -3.448 -0.389 2.675 0.00 0.00 +0.010 A ATOM 23 C LIG 1 -4.355 -1.282 3.250 0.00 0.00 +0.019 A ATOM 24 C LIG 1 -4.667 -2.474 2.599 0.00 0.00 +0.052 A ATOM 25 C LIG 1 -4.077 -2.760 1.365 0.00 0.00 +0.031 A BRANCH 20 28 ATOM 26 C LIG 1 -3.506 -0.400 -2.022 0.00 0.00 +0.152 C ATOM 27 N LIG 1 -2.752 -1.587 -1.727 0.00 0.00 -0.317 N ATOM 28 C LIG 1 -2.615 -2.250 -0.531 0.00 0.00 +0.164 A ATOM 29 N LIG 1 -1.949 -3.368 -0.763 0.00 0.00 -0.129 NA ATOM 30 N LIG 1 -1.601 -3.407 -2.092 0.00 0.00 -0.138 NA ATOM 31 C LIG 1 -2.086 -2.329 -2.656 0.00 0.00 +0.225 A ENDBRANCH 20 28 BRANCH 24 32 ATOM 32 C LIG 1 -5.591 -3.397 3.189 0.00 0.00 +0.099 C ATOM 33 N LIG 1 -6.354 -4.130 3.668 0.00 0.00 -0.191 NA ENDBRANCH 24 32 ENDBRANCH 1 21 BRANCH 5 34 ATOM 34 C LIG 1 -1.799 3.935 -0.352 0.00 0.00 +0.019 C ATOM 35 C LIG 1 -1.553 4.449 -1.752 0.00 0.00 +0.009 C ATOM 36 C LIG 1 -2.949 4.126 -1.315 0.00 0.00 +0.009 C ENDBRANCH 5 34 TORSDOF 7