REMARK Name = BDB014910 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.672 -0.665 1.424 0.00 0.00 +0.152 A ATOM 2 C LIG 1 -1.373 -0.163 0.291 0.00 0.00 +0.033 A ATOM 3 C LIG 1 -1.137 1.046 -0.550 0.00 0.00 +0.148 C ATOM 4 N LIG 1 -2.136 1.143 -1.638 0.00 0.00 -0.297 N ATOM 5 C LIG 1 -3.495 0.628 -1.369 0.00 0.00 +0.114 C ATOM 6 C LIG 1 -3.496 -0.843 -0.908 0.00 0.00 +0.074 C ATOM 7 C LIG 1 -1.853 2.066 -2.637 0.00 0.00 +0.213 C ATOM 8 O LIG 1 -0.801 2.706 -2.673 0.00 0.00 -0.276 OA ATOM 9 C LIG 1 -2.889 2.263 -3.713 0.00 0.00 +0.109 C ATOM 10 C LIG 1 -2.453 -1.008 0.135 0.00 0.00 +0.048 A ATOM 11 N LIG 1 -2.353 -1.954 1.107 0.00 0.00 -0.261 N ATOM 12 N LIG 1 -1.307 -1.734 1.927 0.00 0.00 -0.155 NA ENDROOT BRANCH 11 13 ATOM 13 C LIG 1 -3.214 -3.086 1.398 0.00 0.00 +0.135 C ATOM 14 C LIG 1 -3.530 -3.956 0.188 0.00 0.00 +0.186 C ATOM 15 O LIG 1 -4.940 -3.826 -0.055 0.00 0.00 -0.378 OA ATOM 16 C LIG 1 -5.544 -3.566 1.215 0.00 0.00 +0.162 C ATOM 17 C LIG 1 -4.570 -2.678 1.956 0.00 0.00 +0.057 C ENDBRANCH 11 13 BRANCH 1 18 ATOM 18 N LIG 1 0.445 -0.083 1.966 0.00 0.00 -0.284 N BRANCH 18 19 ATOM 19 C LIG 1 1.567 0.379 1.228 0.00 0.00 +0.035 A ATOM 20 C LIG 1 2.043 -0.317 0.108 0.00 0.00 +0.024 A ATOM 21 C LIG 1 3.152 0.146 -0.611 0.00 0.00 +0.010 A ATOM 22 C LIG 1 3.813 1.319 -0.228 0.00 0.00 -0.015 A ATOM 23 C LIG 1 3.339 2.019 0.888 0.00 0.00 +0.010 A ATOM 24 C LIG 1 2.232 1.553 1.607 0.00 0.00 +0.024 A BRANCH 22 25 ATOM 25 C LIG 1 4.964 1.813 -0.966 0.00 0.00 +0.020 A ATOM 26 C LIG 1 5.860 1.030 -1.665 0.00 0.00 +0.116 A ATOM 27 N LIG 1 6.787 1.883 -2.191 0.00 0.00 -0.274 N ATOM 28 C LIG 1 7.925 1.534 -3.005 0.00 0.00 +0.172 C ATOM 29 N LIG 1 6.569 3.172 -1.877 0.00 0.00 -0.179 NA ATOM 30 C LIG 1 5.458 3.128 -1.138 0.00 0.00 +0.142 A ENDBRANCH 22 25 ENDBRANCH 18 19 BRANCH 18 32 ATOM 31 C LIG 1 -0.058 0.274 4.355 0.00 0.00 +0.025 C ATOM 32 C LIG 1 0.812 -0.466 3.345 0.00 0.00 +0.109 C ENDBRANCH 18 32 ENDBRANCH 1 18 TORSDOF 5