REMARK Name = BDB015854 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.155 -0.043 -0.130 0.00 0.00 +0.133 A ATOM 2 C LIG 1 0.950 -0.895 -0.175 0.00 0.00 +0.067 A ATOM 3 C LIG 1 0.658 -2.232 -0.388 0.00 0.00 +0.127 A ATOM 4 N LIG 1 -0.581 -2.727 -0.575 0.00 0.00 -0.235 NA ATOM 5 C LIG 1 -1.582 -1.837 -0.520 0.00 0.00 +0.162 A ATOM 6 N LIG 1 -1.405 -0.519 -0.298 0.00 0.00 -0.212 NA ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -2.961 -2.328 -0.713 0.00 0.00 +0.020 A ATOM 8 C LIG 1 -4.067 -1.454 -0.662 0.00 0.00 +0.020 A ATOM 9 C LIG 1 -5.386 -1.903 -0.842 0.00 0.00 -0.014 A ATOM 10 C LIG 1 -5.606 -3.262 -1.087 0.00 0.00 +0.008 A ATOM 11 C LIG 1 -4.534 -4.151 -1.145 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -3.230 -3.687 -0.959 0.00 0.00 +0.011 A BRANCH 9 13 ATOM 13 C LIG 1 -6.508 -0.981 -0.783 0.00 0.00 +0.020 A ATOM 14 C LIG 1 -6.551 0.176 -0.030 0.00 0.00 +0.116 A ATOM 15 N LIG 1 -7.780 0.730 -0.246 0.00 0.00 -0.274 N ATOM 16 C LIG 1 -8.296 1.948 0.329 0.00 0.00 +0.172 C ATOM 17 N LIG 1 -8.549 0.018 -1.088 0.00 0.00 -0.179 NA ATOM 18 C LIG 1 -7.775 -1.022 -1.411 0.00 0.00 +0.142 A ENDBRANCH 9 13 ENDBRANCH 5 7 BRANCH 2 19 ATOM 19 C LIG 1 2.348 -0.511 0.013 0.00 0.00 +0.137 A ATOM 20 S LIG 1 3.019 0.909 -0.692 0.00 0.00 -0.041 S ATOM 21 C LIG 1 4.535 0.457 -0.019 0.00 0.00 +0.187 A ATOM 22 N LIG 1 4.501 -0.688 0.632 0.00 0.00 -0.136 NA ATOM 23 N LIG 1 3.244 -1.252 0.640 0.00 0.00 -0.141 NA BRANCH 21 24 ATOM 24 C LIG 1 5.713 1.302 -0.210 0.00 0.00 +0.274 C ATOM 25 N LIG 1 6.913 0.945 0.397 0.00 0.00 -0.293 N ATOM 26 C LIG 1 8.139 1.681 0.111 0.00 0.00 +0.139 C ATOM 27 C LIG 1 9.265 0.809 0.672 0.00 0.00 +0.133 C ATOM 28 C LIG 1 8.585 0.056 1.808 0.00 0.00 +0.052 C ATOM 29 C LIG 1 7.181 -0.192 1.266 0.00 0.00 +0.111 C ATOM 30 O LIG 1 5.676 2.332 -0.893 0.00 0.00 -0.268 OA BRANCH 27 31 ATOM 31 O LIG 1 9.717 -0.115 -0.317 0.00 0.00 -0.390 OA ATOM 32 H LIG 1 10.421 -0.654 0.083 0.00 0.00 +0.210 HD ENDBRANCH 27 31 ENDBRANCH 21 24 ENDBRANCH 2 19 BRANCH 1 33 ATOM 33 N LIG 1 0.005 1.315 0.172 0.00 0.00 -0.326 N ATOM 34 H LIG 1 0.741 1.713 -0.407 0.00 0.00 +0.148 HD BRANCH 33 36 ATOM 35 C LIG 1 -2.067 1.905 1.431 0.00 0.00 +0.027 C ATOM 36 C LIG 1 -1.132 2.239 0.272 0.00 0.00 +0.066 C ATOM 37 C LIG 1 -1.861 2.429 -1.055 0.00 0.00 +0.027 C ENDBRANCH 33 36 ENDBRANCH 1 33 TORSDOF 7