REMARK Name = BDB016099 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.944 -1.942 -0.967 0.00 0.00 +0.162 A ATOM 2 N LIG 1 1.717 -1.401 -0.844 0.00 0.00 -0.212 NA ATOM 3 C LIG 1 0.641 -2.175 -1.088 0.00 0.00 +0.131 A ATOM 4 C LIG 1 0.781 -3.520 -1.436 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.083 -3.974 -1.545 0.00 0.00 +0.125 A ATOM 6 N LIG 1 3.175 -3.216 -1.324 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 5.022 1.117 -0.020 0.00 0.00 -0.014 A ATOM 8 C LIG 1 3.934 0.271 -0.288 0.00 0.00 +0.020 A ATOM 9 C LIG 1 4.105 -1.071 -0.690 0.00 0.00 +0.020 A ATOM 10 C LIG 1 5.425 -1.541 -0.815 0.00 0.00 +0.011 A ATOM 11 C LIG 1 6.519 -0.713 -0.552 0.00 0.00 +0.001 A ATOM 12 C LIG 1 6.318 0.609 -0.157 0.00 0.00 +0.008 A BRANCH 7 17 ATOM 13 C LIG 1 5.537 6.004 0.716 0.00 0.00 +0.172 C ATOM 14 N LIG 1 5.033 4.653 0.706 0.00 0.00 -0.274 N ATOM 15 N LIG 1 3.838 4.389 1.263 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 3.692 3.075 1.076 0.00 0.00 +0.142 A ATOM 17 C LIG 1 4.788 2.490 0.398 0.00 0.00 +0.020 A ATOM 18 C LIG 1 5.639 3.553 0.172 0.00 0.00 +0.116 A ENDBRANCH 7 17 ENDBRANCH 1 9 BRANCH 4 19 ATOM 19 C LIG 1 -0.321 -4.425 -1.696 0.00 0.00 +0.024 A ATOM 20 C LIG 1 -1.416 -4.600 -0.877 0.00 0.00 +0.116 A ATOM 21 N LIG 1 -2.187 -5.558 -1.468 0.00 0.00 -0.274 N ATOM 22 C LIG 1 -3.441 -6.084 -0.986 0.00 0.00 +0.172 C ATOM 23 N LIG 1 -1.667 -6.028 -2.616 0.00 0.00 -0.179 NA ATOM 24 C LIG 1 -0.526 -5.346 -2.748 0.00 0.00 +0.143 A ENDBRANCH 4 19 BRANCH 3 25 ATOM 25 N LIG 1 -0.645 -1.605 -0.952 0.00 0.00 -0.326 N ATOM 26 H LIG 1 -1.187 -1.868 -1.773 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 -0.707 -0.163 -0.678 0.00 0.00 +0.072 C ATOM 28 C LIG 1 -0.419 0.124 0.811 0.00 0.00 +0.024 C ATOM 29 C LIG 1 -1.698 0.348 1.616 0.00 0.00 +0.021 C ATOM 30 C LIG 1 -2.462 1.585 1.099 0.00 0.00 +0.057 C ATOM 31 C LIG 1 -2.454 1.669 -0.444 0.00 0.00 +0.021 C ATOM 32 C LIG 1 -2.101 0.341 -1.104 0.00 0.00 +0.024 C BRANCH 30 33 ATOM 33 N LIG 1 -3.783 1.703 1.736 0.00 0.00 -0.295 NA ATOM 34 C LIG 1 -4.388 3.046 1.627 0.00 0.00 +0.113 C ATOM 35 C LIG 1 -5.704 3.080 0.830 0.00 0.00 +0.175 C ATOM 36 O LIG 1 -6.702 2.183 1.330 0.00 0.00 -0.377 OA ATOM 37 C LIG 1 -6.152 1.012 1.946 0.00 0.00 +0.175 C ATOM 38 C LIG 1 -4.755 0.645 1.419 0.00 0.00 +0.113 C ENDBRANCH 30 33 ENDBRANCH 25 27 ENDBRANCH 3 25 TORSDOF 6