REMARK Name = BDB058035 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.533 -1.961 1.156 0.00 0.00 -0.021 A ATOM 2 C LIG 1 -1.232 -2.383 0.848 0.00 0.00 +0.009 A ATOM 3 C LIG 1 -0.126 -1.766 1.441 0.00 0.00 +0.013 A ATOM 4 C LIG 1 -0.317 -0.716 2.343 0.00 0.00 +0.037 A ATOM 5 C LIG 1 -1.611 -0.317 2.689 0.00 0.00 +0.013 A ATOM 6 C LIG 1 -2.713 -0.937 2.096 0.00 0.00 +0.009 A ENDROOT BRANCH 1 13 ATOM 7 C LIG 1 -6.707 0.732 -1.071 0.00 0.00 +0.079 A ATOM 8 C LIG 1 -6.107 -0.476 -0.761 0.00 0.00 +0.152 A ATOM 9 O LIG 1 -4.909 -0.662 -0.107 0.00 0.00 -0.451 OA ATOM 10 C LIG 1 -4.720 -2.035 -0.022 0.00 0.00 +0.176 C ATOM 11 C LIG 1 -5.847 -2.762 -0.657 0.00 0.00 +0.231 C ATOM 12 O LIG 1 -6.018 -3.955 -0.777 0.00 0.00 -0.283 OA ATOM 13 C LIG 1 -3.667 -2.650 0.532 0.00 0.00 +0.058 C ATOM 14 C LIG 1 -6.715 -1.683 -1.113 0.00 0.00 +0.068 A ATOM 15 C LIG 1 -7.925 -1.754 -1.774 0.00 0.00 +0.015 A ATOM 16 C LIG 1 -8.545 -0.546 -2.091 0.00 0.00 +0.002 A ATOM 17 C LIG 1 -7.944 0.682 -1.744 0.00 0.00 +0.017 A BRANCH 7 21 ATOM 18 N LIG 1 -4.907 2.107 -0.139 0.00 0.00 -0.325 N ATOM 19 H LIG 1 -4.516 3.019 0.058 0.00 0.00 +0.145 HD ATOM 20 H LIG 1 -4.347 1.288 0.057 0.00 0.00 +0.145 HD ATOM 21 C LIG 1 -6.133 2.061 -0.738 0.00 0.00 +0.245 C ATOM 22 O LIG 1 -6.735 3.096 -0.997 0.00 0.00 -0.270 OA ENDBRANCH 7 21 ENDBRANCH 1 13 BRANCH 4 23 ATOM 23 C LIG 1 0.832 -0.059 3.008 0.00 0.00 +0.247 C ATOM 24 N LIG 1 1.870 0.439 2.228 0.00 0.00 -0.295 N ATOM 25 C LIG 1 1.784 0.682 0.776 0.00 0.00 +0.127 C ATOM 26 C LIG 1 2.702 1.829 0.321 0.00 0.00 +0.127 C ATOM 27 N LIG 1 4.106 1.569 0.702 0.00 0.00 -0.298 N ATOM 28 C LIG 1 4.302 0.975 2.043 0.00 0.00 +0.127 C ATOM 29 C LIG 1 3.030 1.024 2.907 0.00 0.00 +0.127 C ATOM 30 O LIG 1 0.816 0.023 4.234 0.00 0.00 -0.270 OA BRANCH 27 31 ATOM 31 C LIG 1 4.943 1.194 -0.303 0.00 0.00 +0.197 A ATOM 32 N LIG 1 6.290 1.032 -0.084 0.00 0.00 -0.326 N ATOM 33 H LIG 1 6.756 1.193 0.793 0.00 0.00 +0.169 HD ATOM 34 C LIG 1 6.886 0.664 -1.261 0.00 0.00 +0.067 A ATOM 35 C LIG 1 5.838 0.638 -2.172 0.00 0.00 +0.091 A ATOM 36 C LIG 1 6.100 0.297 -3.507 0.00 0.00 +0.030 A ATOM 37 C LIG 1 7.417 -0.006 -3.876 0.00 0.00 +0.002 A ATOM 38 C LIG 1 8.451 0.031 -2.937 0.00 0.00 +0.002 A ATOM 39 C LIG 1 8.208 0.370 -1.600 0.00 0.00 +0.028 A ATOM 40 N LIG 1 4.653 0.975 -1.566 0.00 0.00 -0.214 NA ENDBRANCH 27 31 ENDBRANCH 4 23 TORSDOF 4