REMARK Name = BDB058006 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.087 -1.404 -0.625 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -1.188 -1.465 -1.193 0.00 0.00 +0.013 A ATOM 3 C LIG 1 -2.087 -0.408 -1.018 0.00 0.00 +0.009 A ATOM 4 C LIG 1 -1.722 0.725 -0.279 0.00 0.00 -0.021 A ATOM 5 C LIG 1 -0.428 0.792 0.257 0.00 0.00 +0.009 A ATOM 6 C LIG 1 0.473 -0.266 0.090 0.00 0.00 +0.013 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -2.616 1.877 -0.099 0.00 0.00 +0.058 C ATOM 8 C LIG 1 -3.941 1.821 0.092 0.00 0.00 +0.176 C ATOM 9 C LIG 1 -4.782 3.030 0.286 0.00 0.00 +0.231 C ATOM 10 O LIG 1 -4.458 4.197 0.310 0.00 0.00 -0.283 OA ATOM 11 C LIG 1 -6.119 2.474 0.457 0.00 0.00 +0.068 A ATOM 12 C LIG 1 -6.011 1.087 0.362 0.00 0.00 +0.152 A ATOM 13 C LIG 1 -7.131 0.286 0.488 0.00 0.00 +0.079 A ATOM 14 C LIG 1 -8.368 0.921 0.706 0.00 0.00 +0.017 A ATOM 15 C LIG 1 -8.459 2.325 0.802 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -7.319 3.121 0.677 0.00 0.00 +0.015 A ATOM 17 O LIG 1 -4.715 0.671 0.158 0.00 0.00 -0.451 OA BRANCH 13 18 ATOM 18 C LIG 1 -7.023 -1.185 0.357 0.00 0.00 +0.245 C ATOM 19 O LIG 1 -6.169 -1.715 -0.339 0.00 0.00 -0.270 OA ATOM 20 N LIG 1 -7.919 -1.937 1.066 0.00 0.00 -0.325 N ATOM 21 H LIG 1 -8.459 -1.561 1.832 0.00 0.00 +0.145 HD ATOM 22 H LIG 1 -7.758 -2.937 1.057 0.00 0.00 +0.145 HD ENDBRANCH 13 18 ENDBRANCH 4 7 BRANCH 1 25 ATOM 23 N LIG 1 1.883 -2.819 0.199 0.00 0.00 -0.311 N ATOM 24 H LIG 1 1.740 -2.372 1.095 0.00 0.00 +0.149 HD ATOM 25 C LIG 1 1.018 -2.542 -0.838 0.00 0.00 +0.244 C ATOM 26 O LIG 1 0.987 -3.185 -1.880 0.00 0.00 -0.270 OA BRANCH 23 27 ATOM 27 C LIG 1 2.799 -3.950 0.145 0.00 0.00 +0.112 C BRANCH 27 28 ATOM 28 C LIG 1 3.989 -3.730 -0.794 0.00 0.00 +0.093 C BRANCH 28 33 ATOM 29 C LIG 1 5.668 0.864 0.159 0.00 0.00 +0.084 A ATOM 30 C LIG 1 5.511 -0.524 0.051 0.00 0.00 +0.080 A ATOM 31 C LIG 1 6.396 -1.438 0.607 0.00 0.00 +0.090 A ATOM 32 N LIG 1 5.979 -2.726 0.376 0.00 0.00 -0.232 NA ATOM 33 C LIG 1 4.864 -2.620 -0.318 0.00 0.00 +0.110 A ATOM 34 C LIG 1 7.522 -0.968 1.298 0.00 0.00 +0.030 A ATOM 35 C LIG 1 7.717 0.415 1.412 0.00 0.00 +0.003 A ATOM 36 N LIG 1 4.560 -1.304 -0.559 0.00 0.00 -0.341 N ATOM 37 H LIG 1 3.755 -0.958 -1.068 0.00 0.00 +0.167 HD ATOM 38 C LIG 1 6.803 1.316 0.855 0.00 0.00 +0.017 A BRANCH 29 39 ATOM 39 C LIG 1 4.646 1.761 -0.427 0.00 0.00 +0.341 C ATOM 40 O LIG 1 3.611 1.347 -0.931 0.00 0.00 -0.245 OA BRANCH 39 42 ATOM 41 C LIG 1 4.083 3.982 -0.872 0.00 0.00 +0.280 C ATOM 42 O LIG 1 5.020 3.058 -0.316 0.00 0.00 -0.464 OA ENDBRANCH 39 42 ENDBRANCH 29 39 ENDBRANCH 28 33 ENDBRANCH 27 28 ENDBRANCH 23 27 ENDBRANCH 1 25 TORSDOF 8