REMARK Name = BDB058588 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.106 0.584 -0.131 0.00 0.00 +0.089 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 0.147 -0.025 0.350 0.00 0.00 -0.302 NA ATOM 3 C LIG 1 0.975 0.925 1.114 0.00 0.00 +0.085 C ATOM 4 C LIG 1 2.476 0.602 1.102 0.00 0.00 +0.023 C ATOM 5 C LIG 1 2.708 -0.911 1.038 0.00 0.00 +0.021 C ATOM 6 C LIG 1 2.034 -1.508 -0.213 0.00 0.00 +0.023 C ATOM 7 C LIG 1 0.900 -0.628 -0.753 0.00 0.00 +0.085 C BRANCH 5 8 ATOM 8 C LIG 1 4.176 -1.288 1.126 0.00 0.00 -0.044 A ATOM 9 C LIG 1 5.123 -0.777 0.219 0.00 0.00 +0.014 A ATOM 10 C LIG 1 6.489 -1.118 0.283 0.00 0.00 +0.001 A ATOM 11 C LIG 1 6.881 -2.014 1.292 0.00 0.00 +0.010 A ATOM 12 C LIG 1 5.955 -2.535 2.200 0.00 0.00 +0.001 A ATOM 13 C LIG 1 4.612 -2.173 2.118 0.00 0.00 +0.004 A BRANCH 10 14 ATOM 14 C LIG 1 7.452 -0.553 -0.687 0.00 0.00 +0.071 A ATOM 15 N LIG 1 6.954 -0.276 -1.922 0.00 0.00 -0.255 NA ATOM 16 C LIG 1 7.795 0.238 -2.846 0.00 0.00 +0.111 A ATOM 17 C LIG 1 9.130 0.507 -2.607 0.00 0.00 +0.020 A ATOM 18 C LIG 1 9.633 0.234 -1.344 0.00 0.00 +0.004 A ATOM 19 C LIG 1 8.788 -0.300 -0.372 0.00 0.00 +0.028 A ENDBRANCH 10 14 ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 20 ATOM 20 C LIG 1 -2.044 1.030 1.006 0.00 0.00 +0.053 C BRANCH 20 24 ATOM 21 N LIG 1 -5.453 1.786 -0.206 0.00 0.00 -0.220 N ATOM 22 N LIG 1 -4.885 3.028 -0.320 0.00 0.00 -0.173 NA ATOM 23 C LIG 1 -3.632 2.883 0.101 0.00 0.00 +0.138 A ATOM 24 C LIG 1 -3.336 1.567 0.490 0.00 0.00 -0.008 A ATOM 25 C LIG 1 -4.520 0.890 0.285 0.00 0.00 +0.120 A BRANCH 21 30 ATOM 26 O LIG 1 -10.726 -1.047 -1.178 0.00 0.00 -0.267 OA ATOM 27 C LIG 1 -9.552 -0.948 -0.843 0.00 0.00 +0.259 A ATOM 28 C LIG 1 -8.821 0.332 -0.907 0.00 0.00 +0.070 A ATOM 29 C LIG 1 -7.475 0.352 -0.502 0.00 0.00 +0.122 A ATOM 30 C LIG 1 -6.833 1.597 -0.585 0.00 0.00 +0.180 A ATOM 31 N LIG 1 -7.483 2.721 -1.036 0.00 0.00 -0.234 NA ATOM 32 C LIG 1 -8.772 2.638 -1.410 0.00 0.00 +0.114 A ATOM 33 N LIG 1 -6.853 -0.832 -0.049 0.00 0.00 -0.233 NA ATOM 34 C LIG 1 -7.534 -1.923 -0.012 0.00 0.00 +0.200 A ATOM 35 C LIG 1 -9.487 1.467 -1.365 0.00 0.00 +0.035 A ATOM 36 N LIG 1 -8.838 -2.020 -0.386 0.00 0.00 -0.313 N ATOM 37 H LIG 1 -9.330 -2.901 -0.339 0.00 0.00 +0.170 HD ENDBRANCH 21 30 ENDBRANCH 20 24 ENDBRANCH 1 20 TORSDOF 6