REMARK Name = BDB017671 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.709 -1.450 -0.034 0.00 0.00 -0.031 A ATOM 2 C LIG 1 1.526 -1.084 -1.112 0.00 0.00 +0.031 A ATOM 3 C LIG 1 2.791 -0.534 -0.883 0.00 0.00 +0.051 A ATOM 4 C LIG 1 3.272 -0.323 0.417 0.00 0.00 +0.020 A ATOM 5 C LIG 1 4.616 0.279 0.590 0.00 0.00 +0.045 A ATOM 6 N LIG 1 5.075 0.580 1.871 0.00 0.00 -0.343 N ATOM 7 H LIG 1 4.327 0.806 2.520 0.00 0.00 +0.146 HD ATOM 8 C LIG 1 6.262 1.406 2.062 0.00 0.00 +0.102 C ATOM 9 C LIG 1 7.320 1.019 1.036 0.00 0.00 +0.023 C ATOM 10 C LIG 1 6.757 1.113 -0.386 0.00 0.00 +0.044 C ATOM 11 C LIG 1 5.370 0.537 -0.499 0.00 0.00 +0.038 A ATOM 12 C LIG 1 4.858 0.290 -1.874 0.00 0.00 +0.254 A ATOM 13 O LIG 1 5.531 0.538 -2.870 0.00 0.00 -0.268 OA ATOM 14 C LIG 1 2.458 -0.718 1.490 0.00 0.00 +0.012 A ATOM 15 N LIG 1 3.592 -0.210 -1.981 0.00 0.00 -0.322 N ATOM 16 H LIG 1 3.261 -0.370 -2.922 0.00 0.00 +0.169 HD ATOM 17 C LIG 1 1.191 -1.270 1.268 0.00 0.00 +0.005 A ENDROOT BRANCH 1 18 ATOM 18 C LIG 1 -0.658 -2.055 -0.278 0.00 0.00 +0.119 C BRANCH 18 22 ATOM 19 N LIG 1 -4.310 -0.073 -0.761 0.00 0.00 -0.312 N ATOM 20 C LIG 1 -4.051 -1.516 -0.653 0.00 0.00 +0.122 C ATOM 21 C LIG 1 -2.786 -1.894 -1.456 0.00 0.00 +0.103 C ATOM 22 N LIG 1 -1.547 -1.184 -1.063 0.00 0.00 -0.295 NA ATOM 23 C LIG 1 -1.857 0.070 -0.338 0.00 0.00 +0.103 C ATOM 24 C LIG 1 -3.127 0.798 -0.841 0.00 0.00 +0.122 C BRANCH 19 28 ATOM 25 C LIG 1 -7.826 1.336 0.850 0.00 0.00 +0.158 A ATOM 26 N LIG 1 -7.067 2.230 0.177 0.00 0.00 -0.240 NA ATOM 27 C LIG 1 -5.915 1.724 -0.343 0.00 0.00 +0.155 A ATOM 28 C LIG 1 -5.489 0.396 -0.204 0.00 0.00 +0.140 A ATOM 29 N LIG 1 -6.285 -0.471 0.468 0.00 0.00 -0.236 NA ATOM 30 C LIG 1 -7.442 0.015 0.988 0.00 0.00 +0.151 A BRANCH 25 32 ATOM 31 N LIG 1 -10.053 2.153 1.897 0.00 0.00 -0.189 NA ATOM 32 C LIG 1 -9.051 1.811 1.418 0.00 0.00 +0.121 C ENDBRANCH 25 32 ENDBRANCH 19 28 ENDBRANCH 18 22 ENDBRANCH 1 18 TORSDOF 4