REMARK Name = BDB026961 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.689 -0.186 -0.194 0.00 0.00 +0.186 C ATOM 2 O LIG 1 0.788 -0.199 1.038 0.00 0.00 -0.290 OA ENDROOT BRANCH 1 7 ATOM 3 C LIG 1 -4.653 0.226 0.470 0.00 0.00 -0.013 A ATOM 4 C LIG 1 -4.238 0.414 -0.859 0.00 0.00 +0.034 A ATOM 5 C LIG 1 -2.867 0.333 -1.148 0.00 0.00 +0.048 A ATOM 6 C LIG 1 -1.901 0.070 -0.177 0.00 0.00 +0.010 A ATOM 7 C LIG 1 -0.618 0.053 -0.828 0.00 0.00 +0.044 A ATOM 8 C LIG 1 -0.859 0.327 -2.164 0.00 0.00 +0.095 A ATOM 9 C LIG 1 -2.334 -0.122 1.151 0.00 0.00 +0.011 A ATOM 10 N LIG 1 -2.209 0.480 -2.344 0.00 0.00 -0.360 N ATOM 11 H LIG 1 -2.662 0.676 -3.226 0.00 0.00 +0.165 HD ATOM 12 C LIG 1 -3.700 -0.042 1.459 0.00 0.00 +0.009 A BRANCH 3 17 ATOM 13 C LIG 1 -8.921 1.015 2.886 0.00 0.00 +0.172 C ATOM 14 N LIG 1 -7.944 0.666 1.884 0.00 0.00 -0.274 N ATOM 15 N LIG 1 -8.356 0.229 0.681 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 -7.214 0.008 0.024 0.00 0.00 +0.142 A ATOM 17 C LIG 1 -6.067 0.303 0.798 0.00 0.00 +0.020 A ATOM 18 C LIG 1 -6.586 0.733 2.003 0.00 0.00 +0.116 A ENDBRANCH 3 17 ENDBRANCH 1 7 BRANCH 1 19 ATOM 19 C LIG 1 1.957 -0.353 -1.090 0.00 0.00 +0.156 C BRANCH 19 20 ATOM 20 C LIG 1 1.868 -1.563 -2.007 0.00 0.00 -0.023 A ATOM 21 C LIG 1 1.584 -2.839 -1.494 0.00 0.00 +0.005 A ATOM 22 C LIG 1 1.505 -3.945 -2.341 0.00 0.00 +0.000 A ATOM 23 C LIG 1 1.720 -3.794 -3.709 0.00 0.00 +0.000 A ATOM 24 C LIG 1 2.022 -2.538 -4.231 0.00 0.00 +0.000 A ATOM 25 C LIG 1 2.100 -1.429 -3.386 0.00 0.00 +0.005 A ENDBRANCH 19 20 BRANCH 19 26 ATOM 26 N LIG 1 3.158 -0.458 -0.221 0.00 0.00 -0.303 NA ATOM 27 H LIG 1 2.982 0.097 0.622 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 4.379 0.006 -0.881 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 5.596 -0.074 0.056 0.00 0.00 +0.050 C BRANCH 29 30 ATOM 30 C LIG 1 5.559 0.938 1.178 0.00 0.00 -0.046 A ATOM 31 C LIG 1 5.075 0.577 2.444 0.00 0.00 +0.005 A ATOM 32 C LIG 1 5.021 1.516 3.476 0.00 0.00 +0.020 A ATOM 33 C LIG 1 5.452 2.820 3.247 0.00 0.00 +0.041 A ATOM 34 CL LIG 1 5.388 3.978 4.519 0.00 0.00 -0.084 Cl ATOM 35 C LIG 1 5.935 3.194 1.995 0.00 0.00 +0.020 A ATOM 36 C LIG 1 5.986 2.256 0.962 0.00 0.00 +0.005 A ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 19 26 ENDBRANCH 1 19 TORSDOF 8