REMARK Name = BDB031757 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.133 -2.285 1.147 0.00 0.00 -0.041 A ATOM 2 C LIG 1 3.552 -1.786 2.328 0.00 0.00 +0.031 A ATOM 3 C LIG 1 2.216 -1.370 2.293 0.00 0.00 +0.068 A ATOM 4 C LIG 1 1.424 -1.442 1.156 0.00 0.00 +0.041 A ATOM 5 C LIG 1 0.156 -0.903 1.546 0.00 0.00 +0.154 A ATOM 6 N LIG 1 0.168 -0.548 2.834 0.00 0.00 -0.157 NA ATOM 7 C LIG 1 1.986 -1.974 -0.018 0.00 0.00 +0.014 A ATOM 8 N LIG 1 1.403 -0.840 3.255 0.00 0.00 -0.275 N ATOM 9 H LIG 1 1.633 -0.648 4.223 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 3.326 -2.391 0.000 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 5.456 1.269 -1.495 0.00 0.00 +0.120 A ATOM 12 C LIG 1 5.500 0.319 -0.468 0.00 0.00 +0.052 A ATOM 13 C LIG 1 6.330 -0.787 -0.609 0.00 0.00 -0.007 A ATOM 14 C LIG 1 6.607 -1.983 0.261 0.00 0.00 +0.081 C ATOM 15 C LIG 1 5.582 -2.716 1.105 0.00 0.00 +0.040 C ATOM 16 C LIG 1 7.643 -2.766 -0.512 0.00 0.00 +0.228 C ATOM 17 N LIG 1 7.883 -2.074 -1.686 0.00 0.00 -0.284 N ATOM 18 H LIG 1 8.543 -2.390 -2.380 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 8.153 -3.812 -0.147 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 6.664 -1.877 1.757 0.00 0.00 +0.031 C ATOM 21 C LIG 1 7.122 -0.906 -1.761 0.00 0.00 +0.038 A ATOM 22 C LIG 1 7.117 0.019 -2.782 0.00 0.00 +0.027 A ATOM 23 C LIG 1 6.268 1.117 -2.636 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 3.708 2.508 -0.462 0.00 0.00 +0.277 C ATOM 25 O LIG 1 4.670 2.391 -1.504 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -0.878 -0.822 0.678 0.00 0.00 -0.279 N ATOM 27 H LIG 1 -0.741 -1.128 -0.277 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 -2.088 -0.091 0.775 0.00 0.00 +0.172 A ATOM 29 C LIG 1 -3.079 -0.347 -0.171 0.00 0.00 +0.201 A ATOM 30 O LIG 1 -2.802 -1.253 -1.175 0.00 0.00 -0.484 OA ATOM 31 C LIG 1 -3.999 -1.737 -1.801 0.00 0.00 +0.253 C ATOM 32 C LIG 1 -4.916 -0.577 -2.210 0.00 0.00 +0.133 C ATOM 33 N LIG 1 -5.292 0.174 -1.009 0.00 0.00 -0.303 N ATOM 34 C LIG 1 -6.488 1.016 -0.981 0.00 0.00 +0.129 C ATOM 35 C LIG 1 -6.782 1.586 -2.350 0.00 0.00 +0.185 C ATOM 36 S LIG 1 -7.116 0.268 -3.495 0.00 0.00 -0.028 S ATOM 37 O LIG 1 -6.565 0.652 -4.782 0.00 0.00 -0.174 OA ATOM 38 O LIG 1 -8.516 -0.090 -3.371 0.00 0.00 -0.174 OA ATOM 39 C LIG 1 -6.158 -1.105 -2.897 0.00 0.00 +0.191 C ATOM 40 C LIG 1 -4.278 0.360 -0.069 0.00 0.00 +0.169 A ATOM 41 N LIG 1 -4.481 1.225 0.935 0.00 0.00 -0.213 NA ATOM 42 C LIG 1 -3.484 1.403 1.822 0.00 0.00 +0.136 A ATOM 43 N LIG 1 -2.295 0.787 1.768 0.00 0.00 -0.213 NA BRANCH 42 44 ATOM 44 C LIG 1 -3.706 2.372 2.962 0.00 0.00 +0.051 C ATOM 45 C LIG 1 -3.946 3.786 2.435 0.00 0.00 +0.015 C ATOM 46 C LIG 1 -4.861 1.911 3.850 0.00 0.00 +0.015 C ENDBRANCH 42 44 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 5