REMARK Name = BDB016094 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.262 2.016 -0.374 0.00 0.00 +0.130 A ATOM 2 C LIG 1 0.464 3.153 -0.739 0.00 0.00 +0.043 A ATOM 3 C LIG 1 1.828 3.081 -0.527 0.00 0.00 +0.125 A ATOM 4 N LIG 1 2.463 2.008 -0.020 0.00 0.00 -0.235 NA ATOM 5 C LIG 1 1.689 0.951 0.279 0.00 0.00 +0.162 A ATOM 6 N LIG 1 0.351 0.920 0.120 0.00 0.00 -0.212 NA ENDROOT BRANCH 2 7 ATOM 7 C LIG 1 -0.115 4.360 -1.295 0.00 0.00 +0.024 A ATOM 8 C LIG 1 -1.004 4.403 -2.349 0.00 0.00 +0.116 A ATOM 9 N LIG 1 -1.270 5.722 -2.572 0.00 0.00 -0.274 N ATOM 10 C LIG 1 -2.148 6.273 -3.575 0.00 0.00 +0.172 C ATOM 11 N LIG 1 -0.607 6.548 -1.742 0.00 0.00 -0.179 NA ATOM 12 C LIG 1 0.103 5.719 -0.973 0.00 0.00 +0.143 A ENDBRANCH 2 7 BRANCH 5 13 ATOM 13 C LIG 1 2.348 -0.253 0.827 0.00 0.00 +0.020 A ATOM 14 C LIG 1 3.752 -0.333 0.949 0.00 0.00 +0.020 A ATOM 15 C LIG 1 4.395 -1.471 1.464 0.00 0.00 -0.014 A ATOM 16 C LIG 1 3.614 -2.558 1.872 0.00 0.00 +0.008 A ATOM 17 C LIG 1 2.225 -2.509 1.765 0.00 0.00 +0.001 A ATOM 18 C LIG 1 1.604 -1.370 1.249 0.00 0.00 +0.011 A BRANCH 15 19 ATOM 19 C LIG 1 5.844 -1.501 1.576 0.00 0.00 +0.020 A ATOM 20 C LIG 1 6.628 -2.636 1.517 0.00 0.00 +0.116 A ATOM 21 N LIG 1 7.921 -2.219 1.646 0.00 0.00 -0.274 N ATOM 22 C LIG 1 9.105 -3.043 1.639 0.00 0.00 +0.172 C ATOM 23 N LIG 1 8.044 -0.888 1.787 0.00 0.00 -0.179 NA ATOM 24 C LIG 1 6.782 -0.453 1.739 0.00 0.00 +0.142 A ENDBRANCH 15 19 ENDBRANCH 5 13 BRANCH 1 25 ATOM 25 N LIG 1 -1.659 1.988 -0.547 0.00 0.00 -0.328 N ATOM 26 H LIG 1 -2.059 2.841 -0.161 0.00 0.00 +0.147 HD BRANCH 25 27 ATOM 27 C LIG 1 -2.373 0.790 -0.111 0.00 0.00 +0.105 C BRANCH 27 28 ATOM 28 C LIG 1 -2.359 -0.274 -1.210 0.00 0.00 +0.041 C BRANCH 28 32 ATOM 29 C LIG 1 -6.836 -0.917 -0.819 0.00 0.00 +0.109 C ATOM 30 C LIG 1 -5.417 -1.064 -1.306 0.00 0.00 +0.213 C ATOM 31 N LIG 1 -4.449 -1.403 -0.367 0.00 0.00 -0.299 N ATOM 32 C LIG 1 -3.059 -1.594 -0.826 0.00 0.00 +0.077 C ATOM 33 C LIG 1 -2.222 -2.405 0.184 0.00 0.00 +0.022 C ATOM 34 C LIG 1 -2.997 -3.623 0.680 0.00 0.00 +0.003 C ATOM 35 C LIG 1 -4.370 -3.251 1.249 0.00 0.00 +0.019 C ATOM 36 C LIG 1 -4.734 -1.787 1.015 0.00 0.00 +0.108 C ATOM 37 O LIG 1 -5.155 -0.879 -2.494 0.00 0.00 -0.276 OA ENDBRANCH 28 32 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 7