REMARK Name = BDB011005 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.665 1.674 -1.186 0.00 0.00 +0.044 A ATOM 2 N LIG 1 -1.559 0.977 -0.855 0.00 0.00 -0.234 NA ATOM 3 C LIG 1 -1.639 -0.354 -0.656 0.00 0.00 +0.142 A ATOM 4 C LIG 1 -2.870 -1.002 -0.785 0.00 0.00 +0.051 A ATOM 5 C LIG 1 -4.057 -0.305 -1.109 0.00 0.00 -0.029 A ATOM 6 C LIG 1 -3.910 1.073 -1.318 0.00 0.00 +0.028 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -0.444 -1.072 -0.328 0.00 0.00 -0.251 N ATOM 8 C LIG 1 0.596 -0.409 0.330 0.00 0.00 +0.267 A ATOM 9 O LIG 1 0.564 0.724 0.808 0.00 0.00 -0.267 OA ATOM 10 C LIG 1 1.829 -1.197 0.553 0.00 0.00 +0.066 A ATOM 11 C LIG 1 1.829 -2.538 0.179 0.00 0.00 +0.078 A ATOM 12 C LIG 1 2.974 -3.304 0.406 0.00 0.00 +0.029 A ATOM 13 C LIG 1 4.106 -2.738 1.000 0.00 0.00 +0.007 A ATOM 14 C LIG 1 4.113 -1.387 1.371 0.00 0.00 -0.033 A ATOM 15 N LIG 1 0.724 -3.144 -0.426 0.00 0.00 -0.237 NA ATOM 16 C LIG 1 2.960 -0.620 1.147 0.00 0.00 +0.020 A ATOM 17 C LIG 1 -0.312 -2.404 -0.651 0.00 0.00 +0.209 A BRANCH 14 18 ATOM 18 C LIG 1 5.331 -0.768 2.026 0.00 0.00 +0.119 C BRANCH 18 19 ATOM 19 N LIG 1 5.854 0.390 1.288 0.00 0.00 -0.298 NA ATOM 20 C LIG 1 6.697 1.221 2.161 0.00 0.00 +0.088 C ATOM 21 C LIG 1 7.577 2.192 1.361 0.00 0.00 +0.000 C ATOM 22 C LIG 1 8.326 3.152 2.284 0.00 0.00 +0.009 C ATOM 23 C LIG 1 8.557 1.416 0.468 0.00 0.00 +0.006 C ATOM 24 C LIG 1 8.018 0.044 0.066 0.00 0.00 +0.016 C ATOM 25 C LIG 1 6.492 0.029 0.013 0.00 0.00 +0.085 C ENDBRANCH 18 19 ENDBRANCH 14 18 ENDBRANCH 3 7 BRANCH 5 26 ATOM 26 C LIG 1 -5.468 -1.079 -1.200 0.00 0.00 +0.056 C ATOM 27 C LIG 1 -6.740 -0.344 -1.751 0.00 0.00 +0.022 C ATOM 28 C LIG 1 -6.371 -0.872 -3.158 0.00 0.00 -0.012 C ATOM 29 C LIG 1 -7.525 -1.254 -4.062 0.00 0.00 +0.007 C ATOM 30 C LIG 1 -5.636 -2.031 -2.443 0.00 0.00 +0.022 C BRANCH 26 31 ATOM 31 C LIG 1 -5.758 -1.806 0.173 0.00 0.00 +0.144 A ATOM 32 N LIG 1 -6.016 -1.224 1.385 0.00 0.00 -0.320 N ATOM 33 C LIG 1 -6.089 0.177 1.693 0.00 0.00 +0.151 C ATOM 34 C LIG 1 -6.153 -2.248 2.270 0.00 0.00 +0.224 A ATOM 35 N LIG 1 -5.984 -3.392 1.648 0.00 0.00 -0.138 NA ATOM 36 N LIG 1 -5.725 -3.113 0.327 0.00 0.00 -0.134 NA ENDBRANCH 26 31 ENDBRANCH 5 26 BRANCH 1 38 ATOM 37 C LIG 1 -2.852 3.922 -0.102 0.00 0.00 +0.010 C ATOM 38 C LIG 1 -2.501 3.160 -1.370 0.00 0.00 +0.052 C ENDBRANCH 1 38 TORSDOF 6