REMARK Name = BDB022896 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.018 -2.431 -0.984 0.00 0.00 +0.028 C ATOM 2 C LIG 1 -0.631 -1.911 -0.636 0.00 0.00 +0.078 C ATOM 3 N LIG 1 -0.394 -0.454 -0.690 0.00 0.00 -0.292 N ATOM 4 C LIG 1 -1.104 0.577 -0.075 0.00 0.00 +0.220 C ATOM 5 O LIG 1 -0.673 1.734 -0.102 0.00 0.00 -0.275 OA ATOM 6 C LIG 1 1.042 -0.173 -0.877 0.00 0.00 +0.163 C ATOM 7 C LIG 1 1.874 -0.888 0.183 0.00 0.00 +0.067 A ATOM 8 C LIG 1 1.347 -1.966 0.887 0.00 0.00 -0.005 A ATOM 9 C LIG 1 2.191 -2.524 1.819 0.00 0.00 +0.120 A ATOM 10 N LIG 1 3.449 -2.099 2.034 0.00 0.00 -0.223 NA ATOM 11 C LIG 1 3.881 -1.069 1.297 0.00 0.00 +0.216 A ATOM 12 N LIG 1 3.141 -0.459 0.365 0.00 0.00 -0.218 NA ATOM 13 C LIG 1 -0.061 -2.463 0.681 0.00 0.00 +0.060 C ENDROOT BRANCH 4 14 ATOM 14 C LIG 1 -2.448 0.310 0.606 0.00 0.00 +0.085 C ATOM 15 C LIG 1 -3.593 0.650 -0.380 0.00 0.00 +0.045 C ATOM 16 C LIG 1 -3.960 2.154 -0.361 0.00 0.00 +0.093 C ATOM 17 N LIG 1 -4.157 2.688 0.997 0.00 0.00 -0.305 NA ATOM 18 C LIG 1 -4.578 4.089 0.932 0.00 0.00 +0.104 C ATOM 19 C LIG 1 -2.917 2.568 1.771 0.00 0.00 +0.085 C ATOM 20 C LIG 1 -2.512 1.103 1.928 0.00 0.00 +0.029 C BRANCH 15 21 ATOM 21 C LIG 1 -4.828 -0.238 -0.216 0.00 0.00 -0.042 A ATOM 22 C LIG 1 -5.568 -0.288 0.973 0.00 0.00 +0.004 A ATOM 23 C LIG 1 -6.690 -1.113 1.088 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -7.096 -1.896 0.011 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -6.386 -1.847 -1.185 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -5.266 -1.020 -1.299 0.00 0.00 +0.004 A ENDBRANCH 15 21 ENDBRANCH 4 14 BRANCH 11 27 ATOM 27 N LIG 1 5.176 -0.664 1.552 0.00 0.00 -0.311 N ATOM 28 H LIG 1 5.593 -1.409 2.101 0.00 0.00 +0.149 HD BRANCH 27 29 ATOM 29 C LIG 1 6.012 -0.142 0.477 0.00 0.00 +0.076 C ATOM 30 C LIG 1 5.592 1.262 0.008 0.00 0.00 +0.053 C ATOM 31 C LIG 1 5.291 1.316 -1.489 0.00 0.00 +0.116 C ATOM 32 C LIG 1 6.446 0.763 -2.325 0.00 0.00 +0.031 C ATOM 33 C LIG 1 7.024 -0.549 -1.795 0.00 0.00 +0.004 C ATOM 34 C LIG 1 6.200 -1.154 -0.663 0.00 0.00 +0.022 C BRANCH 31 35 ATOM 35 O LIG 1 5.027 2.657 -1.898 0.00 0.00 -0.392 OA ATOM 36 H LIG 1 5.747 3.222 -1.571 0.00 0.00 +0.210 HD ENDBRANCH 31 35 ENDBRANCH 27 29 ENDBRANCH 11 27 TORSDOF 5