REMARK Name = BDB011737 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.205 1.017 0.105 0.00 0.00 +0.178 C ATOM 2 C LIG 1 0.075 1.403 -0.636 0.00 0.00 +0.242 C ATOM 3 O LIG 1 0.172 2.568 -1.059 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 1.188 0.556 -0.641 0.00 0.00 -0.264 N ATOM 5 C LIG 1 1.161 -0.862 -0.960 0.00 0.00 +0.059 A ATOM 6 C LIG 1 0.176 -1.790 -0.552 0.00 0.00 +0.072 A ATOM 7 C LIG 1 0.298 -3.155 -0.891 0.00 0.00 +0.026 A ATOM 8 C LIG 1 1.358 -3.629 -1.653 0.00 0.00 +0.002 A ATOM 9 C LIG 1 2.311 -2.736 -2.098 0.00 0.00 +0.002 A ATOM 10 N LIG 1 -0.984 -1.452 0.226 0.00 0.00 -0.202 N ATOM 11 C LIG 1 2.206 -1.384 -1.758 0.00 0.00 +0.025 A ATOM 12 C LIG 1 -1.783 -0.326 -0.276 0.00 0.00 +0.163 C ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 -3.045 2.290 -1.053 0.00 0.00 +0.230 C ATOM 14 N LIG 1 -2.167 2.140 0.003 0.00 0.00 -0.301 N ATOM 15 H LIG 1 -1.787 3.014 0.353 0.00 0.00 +0.150 HD ATOM 16 O LIG 1 -3.261 1.388 -1.861 0.00 0.00 -0.274 OA BRANCH 13 17 ATOM 17 C LIG 1 -3.702 3.695 -1.159 0.00 0.00 +0.137 C ATOM 18 C LIG 1 -4.290 4.174 0.169 0.00 0.00 +0.034 C BRANCH 17 20 ATOM 19 C LIG 1 -5.946 3.074 -1.989 0.00 0.00 +0.101 C ATOM 20 N LIG 1 -4.677 3.732 -2.276 0.00 0.00 -0.309 NA ATOM 21 H LIG 1 -4.243 3.246 -3.066 0.00 0.00 +0.122 HD ENDBRANCH 17 20 ENDBRANCH 13 17 ENDBRANCH 1 14 BRANCH 10 22 ATOM 22 S LIG 1 -1.026 -1.905 1.851 0.00 0.00 +0.066 S ATOM 23 O LIG 1 -0.097 -2.982 2.102 0.00 0.00 -0.153 OA ATOM 24 O LIG 1 -0.922 -0.685 2.632 0.00 0.00 -0.153 OA BRANCH 22 25 ATOM 25 C LIG 1 -2.659 -2.496 2.120 0.00 0.00 +0.353 C BRANCH 25 26 ATOM 26 S LIG 1 -3.211 -3.879 1.196 0.00 0.00 -0.012 S ATOM 27 O LIG 1 -2.159 -4.861 1.046 0.00 0.00 -0.173 OA ATOM 28 O LIG 1 -4.478 -4.273 1.791 0.00 0.00 -0.173 OA ATOM 29 C LIG 1 -3.618 -3.260 -0.419 0.00 0.00 +0.196 C ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 10 22 BRANCH 4 30 ATOM 30 C LIG 1 2.466 1.303 -0.744 0.00 0.00 +0.149 C BRANCH 30 31 ATOM 31 C LIG 1 3.701 0.725 -0.046 0.00 0.00 -0.019 A ATOM 32 C LIG 1 3.647 0.225 1.298 0.00 0.00 -0.013 A ATOM 33 C LIG 1 4.808 -0.373 1.855 0.00 0.00 -0.018 A ATOM 34 C LIG 1 4.785 -0.915 3.152 0.00 0.00 +0.008 A ATOM 35 C LIG 1 3.635 -0.862 3.933 0.00 0.00 +0.001 A ATOM 36 C LIG 1 2.499 -0.250 3.429 0.00 0.00 +0.001 A ATOM 37 C LIG 1 5.994 -0.420 1.120 0.00 0.00 +0.009 A ATOM 38 C LIG 1 6.070 0.144 -0.148 0.00 0.00 +0.004 A ATOM 39 C LIG 1 2.510 0.290 2.140 0.00 0.00 +0.009 A ATOM 40 C LIG 1 4.947 0.739 -0.735 0.00 0.00 -0.045 A ATOM 41 C LIG 1 5.122 1.369 -2.094 0.00 0.00 +0.044 C ENDBRANCH 30 31 ENDBRANCH 4 30 TORSDOF 8