REMARK Name = BDB015843 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.249 0.650 -2.442 0.00 0.00 +0.162 A ATOM 2 N LIG 1 2.094 0.236 -1.888 0.00 0.00 -0.212 NA ATOM 3 C LIG 1 1.155 -0.327 -2.680 0.00 0.00 +0.133 A ATOM 4 C LIG 1 1.356 -0.443 -4.060 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.574 0.022 -4.526 0.00 0.00 +0.125 A ATOM 6 N LIG 1 3.537 0.556 -3.750 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 4.982 1.947 0.706 0.00 0.00 -0.014 A ATOM 8 C LIG 1 4.025 1.398 -0.164 0.00 0.00 +0.020 A ATOM 9 C LIG 1 4.269 1.234 -1.545 0.00 0.00 +0.020 A ATOM 10 C LIG 1 5.524 1.646 -2.028 0.00 0.00 +0.011 A ATOM 11 C LIG 1 6.488 2.192 -1.177 0.00 0.00 +0.001 A ATOM 12 C LIG 1 6.218 2.340 0.183 0.00 0.00 +0.008 A BRANCH 7 17 ATOM 13 C LIG 1 4.913 3.567 5.402 0.00 0.00 +0.172 C ATOM 14 N LIG 1 4.664 2.814 4.197 0.00 0.00 -0.274 N ATOM 15 N LIG 1 3.772 1.810 4.211 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 3.784 1.367 2.951 0.00 0.00 +0.142 A ATOM 17 C LIG 1 4.682 2.084 2.123 0.00 0.00 +0.020 A ATOM 18 C LIG 1 5.235 3.020 2.972 0.00 0.00 +0.116 A ENDBRANCH 7 17 ENDBRANCH 1 9 BRANCH 3 19 ATOM 19 N LIG 1 -0.022 -0.796 -2.062 0.00 0.00 -0.314 N ATOM 20 C LIG 1 -0.322 -0.162 -0.767 0.00 0.00 +0.111 C ATOM 21 C LIG 1 -1.598 -0.784 -0.186 0.00 0.00 +0.024 C ATOM 22 C LIG 1 -1.369 -2.278 0.116 0.00 0.00 +0.008 C ATOM 23 C LIG 1 -0.268 -2.891 -0.751 0.00 0.00 +0.019 C ATOM 24 C LIG 1 -0.204 -2.258 -2.138 0.00 0.00 +0.106 C BRANCH 21 25 ATOM 25 C LIG 1 -2.057 -0.011 1.055 0.00 0.00 +0.112 C BRANCH 25 26 ATOM 26 N LIG 1 -3.324 -0.488 1.564 0.00 0.00 -0.281 N ATOM 27 H LIG 1 -3.917 -1.094 1.015 0.00 0.00 +0.152 HD ATOM 28 C LIG 1 -3.882 0.012 2.700 0.00 0.00 +0.401 C ATOM 29 O LIG 1 -3.365 0.846 3.424 0.00 0.00 -0.226 OA BRANCH 28 30 ATOM 30 O LIG 1 -5.091 -0.567 2.877 0.00 0.00 -0.445 OA BRANCH 30 31 ATOM 31 C LIG 1 -5.924 -0.208 4.011 0.00 0.00 +0.107 C ATOM 32 C LIG 1 -5.221 -0.477 5.346 0.00 0.00 +0.055 C ATOM 33 C LIG 1 -6.394 1.246 3.896 0.00 0.00 +0.055 C ATOM 34 C LIG 1 -7.146 -1.133 3.907 0.00 0.00 +0.055 C ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 25 26 ENDBRANCH 21 25 ENDBRANCH 3 19 BRANCH 4 35 ATOM 35 C LIG 1 0.363 -0.940 -4.993 0.00 0.00 +0.024 A ATOM 36 C LIG 1 0.617 -1.798 -6.043 0.00 0.00 +0.116 A ATOM 37 N LIG 1 -0.587 -2.026 -6.647 0.00 0.00 -0.274 N ATOM 38 C LIG 1 -0.847 -2.886 -7.777 0.00 0.00 +0.172 C ATOM 39 N LIG 1 -1.608 -1.360 -6.075 0.00 0.00 -0.179 NA ATOM 40 C LIG 1 -1.029 -0.702 -5.067 0.00 0.00 +0.143 A ENDBRANCH 4 35 TORSDOF 8