REMARK Name = BDB036380 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.352 0.542 0.731 0.00 0.00 -0.037 A ATOM 2 C LIG 1 -0.133 1.763 0.230 0.00 0.00 +0.031 A ATOM 3 C LIG 1 0.751 2.674 -0.381 0.00 0.00 +0.060 A ATOM 4 C LIG 1 2.119 2.396 -0.489 0.00 0.00 +0.005 A ATOM 5 C LIG 1 2.716 3.499 -1.153 0.00 0.00 +0.028 A ATOM 6 C LIG 1 1.726 4.405 -1.439 0.00 0.00 +0.098 A ATOM 7 C LIG 1 2.636 1.183 0.030 0.00 0.00 -0.024 A ATOM 8 N LIG 1 0.510 3.922 -0.972 0.00 0.00 -0.253 N ATOM 9 C LIG 1 -0.738 4.579 -1.081 0.00 0.00 +0.420 C ATOM 10 O LIG 1 -1.762 4.110 -0.611 0.00 0.00 -0.223 OA ATOM 11 C LIG 1 1.727 0.297 0.658 0.00 0.00 +0.010 A ENDROOT BRANCH 1 12 ATOM 12 C LIG 1 -0.632 -0.460 1.356 0.00 0.00 +0.060 C BRANCH 12 13 ATOM 13 C LIG 1 -1.896 -0.680 0.500 0.00 0.00 -0.034 A ATOM 14 C LIG 1 -1.896 -1.269 -0.790 0.00 0.00 -0.017 A ATOM 15 C LIG 1 -0.657 -1.795 -1.457 0.00 0.00 +0.046 C ATOM 16 C LIG 1 -3.145 -1.386 -1.447 0.00 0.00 +0.116 A ATOM 17 N LIG 1 -3.421 -1.912 -2.685 0.00 0.00 -0.129 NA ATOM 18 N LIG 1 -4.720 -1.804 -2.904 0.00 0.00 -0.065 NA ATOM 19 N LIG 1 -5.261 -1.210 -1.826 0.00 0.00 -0.247 N ATOM 20 C LIG 1 -6.673 -0.931 -1.835 0.00 0.00 +0.175 C ATOM 21 C LIG 1 -4.327 -0.943 -0.855 0.00 0.00 +0.092 A ATOM 22 C LIG 1 -4.370 -0.381 0.429 0.00 0.00 -0.017 A ATOM 23 C LIG 1 -3.120 -0.250 1.063 0.00 0.00 +0.010 A BRANCH 22 24 ATOM 24 C LIG 1 -5.662 0.067 1.044 0.00 0.00 +0.021 C ATOM 25 C LIG 1 -6.686 -0.952 1.488 0.00 0.00 +0.009 C ATOM 26 C LIG 1 -5.930 -0.172 2.515 0.00 0.00 +0.009 C ENDBRANCH 22 24 ENDBRANCH 12 13 BRANCH 12 27 ATOM 27 C LIG 1 -0.019 -1.793 1.831 0.00 0.00 +0.133 C BRANCH 27 28 ATOM 28 C LIG 1 -1.025 -2.710 2.478 0.00 0.00 +0.308 C ATOM 29 O LIG 1 -1.227 -3.863 2.122 0.00 0.00 -0.251 OA BRANCH 28 30 ATOM 30 O LIG 1 -1.625 -2.100 3.539 0.00 0.00 -0.465 OA BRANCH 30 32 ATOM 31 C LIG 1 -1.974 -3.745 5.283 0.00 0.00 +0.048 C ATOM 32 C LIG 1 -2.620 -2.878 4.219 0.00 0.00 +0.229 C ENDBRANCH 30 32 ENDBRANCH 28 30 ENDBRANCH 27 28 ENDBRANCH 12 27 ENDBRANCH 1 12 BRANCH 7 33 ATOM 33 C LIG 1 4.118 0.837 -0.023 0.00 0.00 +0.121 C BRANCH 33 34 ATOM 34 N LIG 1 4.417 -0.604 -0.119 0.00 0.00 -0.286 NA ATOM 35 C LIG 1 3.995 -1.193 -1.418 0.00 0.00 +0.106 C ATOM 36 C LIG 1 4.864 -0.851 -2.640 0.00 0.00 +0.031 C ATOM 37 C LIG 1 3.771 -2.696 -1.324 0.00 0.00 +0.100 A ATOM 38 C LIG 1 4.795 -3.577 -0.985 0.00 0.00 +0.144 A ATOM 39 C LIG 1 4.544 -4.948 -1.017 0.00 0.00 +0.049 A ATOM 40 C LIG 1 3.270 -5.407 -1.330 0.00 0.00 +0.023 A ATOM 41 C LIG 1 2.296 -4.471 -1.619 0.00 0.00 +0.111 A ATOM 42 O LIG 1 6.067 -3.198 -0.683 0.00 0.00 -0.486 OA ATOM 43 C LIG 1 6.202 -2.347 0.469 0.00 0.00 +0.187 C ATOM 44 N LIG 1 2.517 -3.139 -1.631 0.00 0.00 -0.255 NA ATOM 45 C LIG 1 5.822 -0.871 0.217 0.00 0.00 +0.130 C BRANCH 43 46 ATOM 46 C LIG 1 5.718 -2.987 1.791 0.00 0.00 +0.042 C ATOM 47 C LIG 1 4.280 -2.731 2.216 0.00 0.00 +0.007 C ENDBRANCH 43 46 ENDBRANCH 33 34 ENDBRANCH 7 33 BRANCH 9 48 ATOM 48 O LIG 1 -0.589 5.748 -1.755 0.00 0.00 -0.442 OA BRANCH 48 49 ATOM 49 C LIG 1 -1.736 6.598 -2.006 0.00 0.00 +0.107 C ATOM 50 C LIG 1 -2.778 5.886 -2.876 0.00 0.00 +0.055 C ATOM 51 C LIG 1 -2.342 7.114 -0.696 0.00 0.00 +0.055 C ATOM 52 C LIG 1 -1.174 7.792 -2.792 0.00 0.00 +0.055 C ENDBRANCH 48 49 ENDBRANCH 9 48 TORSDOF 12