REMARK Name = BDB053538 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.463 -0.598 -0.376 0.00 0.00 +0.151 A ATOM 2 C LIG 1 -3.303 -0.719 -1.176 0.00 0.00 +0.012 A ATOM 3 C LIG 1 -3.097 -0.741 -2.652 0.00 0.00 +0.044 C ATOM 4 C LIG 1 -1.755 -1.425 -3.024 0.00 0.00 +0.043 C ATOM 5 C LIG 1 -0.628 -1.167 -2.053 0.00 0.00 -0.001 A ATOM 6 C LIG 1 -0.861 -0.903 -0.712 0.00 0.00 +0.097 A ATOM 7 N LIG 1 0.096 -0.732 0.212 0.00 0.00 -0.212 NA ATOM 8 C LIG 1 1.364 -0.835 -0.216 0.00 0.00 +0.220 A ATOM 9 N LIG 1 1.694 -1.102 -1.492 0.00 0.00 -0.222 NA ATOM 10 C LIG 1 0.697 -1.270 -2.383 0.00 0.00 +0.120 A ATOM 11 C LIG 1 -2.243 -0.776 -0.292 0.00 0.00 +0.091 A ATOM 12 N LIG 1 -2.787 -0.694 0.955 0.00 0.00 -0.264 N ATOM 13 C LIG 1 -2.098 -0.721 2.224 0.00 0.00 +0.173 C ATOM 14 N LIG 1 -4.138 -0.583 0.938 0.00 0.00 -0.166 NA ENDROOT BRANCH 1 17 ATOM 15 N LIG 1 -6.739 -0.447 0.256 0.00 0.00 -0.280 N ATOM 16 H LIG 1 -6.234 -0.250 1.116 0.00 0.00 +0.155 HD ATOM 17 C LIG 1 -5.866 -0.466 -0.820 0.00 0.00 +0.269 C ATOM 18 O LIG 1 -6.154 -0.328 -2.003 0.00 0.00 -0.268 OA BRANCH 15 20 ATOM 19 C LIG 1 -8.572 0.924 1.046 0.00 0.00 -0.026 A ATOM 20 C LIG 1 -8.102 -0.097 0.182 0.00 0.00 +0.040 A ATOM 21 C LIG 1 -9.009 -0.772 -0.668 0.00 0.00 -0.026 A ATOM 22 C LIG 1 -10.350 -0.342 -0.707 0.00 0.00 +0.005 A ATOM 23 C LIG 1 -10.799 0.700 0.098 0.00 0.00 +0.001 A ATOM 24 C LIG 1 -9.919 1.319 0.977 0.00 0.00 +0.005 A BRANCH 19 26 ATOM 25 C LIG 1 -6.859 2.757 1.321 0.00 0.00 +0.009 C ATOM 26 C LIG 1 -7.676 1.675 2.011 0.00 0.00 +0.033 C ENDBRANCH 19 26 BRANCH 21 27 ATOM 27 C LIG 1 -8.675 -2.028 -1.449 0.00 0.00 +0.033 C ATOM 28 C LIG 1 -8.452 -3.233 -0.544 0.00 0.00 +0.009 C ENDBRANCH 21 27 ENDBRANCH 15 20 ENDBRANCH 1 17 BRANCH 8 29 ATOM 29 N LIG 1 2.330 -0.645 0.762 0.00 0.00 -0.281 N ATOM 30 H LIG 1 1.905 -0.427 1.654 0.00 0.00 +0.155 HD BRANCH 29 31 ATOM 31 C LIG 1 3.734 -0.652 0.788 0.00 0.00 +0.076 A ATOM 32 C LIG 1 4.380 -0.368 2.016 0.00 0.00 +0.142 A ATOM 33 C LIG 1 5.776 -0.358 2.097 0.00 0.00 +0.060 A ATOM 34 C LIG 1 6.551 -0.626 0.962 0.00 0.00 +0.040 A ATOM 35 C LIG 1 5.921 -0.926 -0.249 0.00 0.00 +0.015 A ATOM 36 C LIG 1 4.524 -0.933 -0.331 0.00 0.00 +0.028 A BRANCH 34 37 ATOM 37 C LIG 1 8.035 -0.606 1.099 0.00 0.00 +0.244 C ATOM 38 N LIG 1 8.756 -0.380 -0.055 0.00 0.00 -0.310 N ATOM 39 H LIG 1 8.278 0.086 -0.816 0.00 0.00 +0.149 HD ATOM 40 O LIG 1 8.552 -0.753 2.202 0.00 0.00 -0.270 OA BRANCH 38 41 ATOM 41 C LIG 1 10.183 -0.111 0.006 0.00 0.00 +0.120 C BRANCH 41 42 ATOM 42 C LIG 1 10.461 1.389 0.227 0.00 0.00 +0.102 C BRANCH 42 43 ATOM 43 N LIG 1 9.808 2.257 -0.783 0.00 0.00 -0.307 NA ATOM 44 C LIG 1 10.467 2.154 -2.088 0.00 0.00 +0.104 C ATOM 45 C LIG 1 9.835 3.650 -0.328 0.00 0.00 +0.104 C ENDBRANCH 42 43 ENDBRANCH 41 42 ENDBRANCH 38 41 ENDBRANCH 34 37 BRANCH 32 46 ATOM 46 O LIG 1 3.532 -0.113 3.072 0.00 0.00 -0.493 OA ATOM 47 C LIG 1 4.132 0.132 4.339 0.00 0.00 +0.277 C ENDBRANCH 32 46 ENDBRANCH 29 31 ENDBRANCH 8 29 TORSDOF 11