REMARK Name = BDB038364 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.681 -0.379 -1.421 0.00 0.00 -0.280 N ATOM 2 H LIG 1 1.183 -1.205 -1.744 0.00 0.00 +0.155 HD ATOM 3 C LIG 1 0.854 0.650 -1.011 0.00 0.00 +0.267 C ATOM 4 O LIG 1 1.185 1.771 -0.651 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 5.304 0.551 -1.095 0.00 0.00 -0.015 A ATOM 6 C LIG 1 3.901 0.631 -1.000 0.00 0.00 +0.031 A ATOM 7 C LIG 1 3.085 -0.397 -1.481 0.00 0.00 +0.034 A ATOM 8 C LIG 1 3.678 -1.526 -2.058 0.00 0.00 +0.023 A ATOM 9 C LIG 1 5.064 -1.616 -2.176 0.00 0.00 +0.002 A ATOM 10 C LIG 1 5.869 -0.581 -1.704 0.00 0.00 +0.008 A BRANCH 5 12 ATOM 11 C LIG 1 6.221 2.028 0.771 0.00 0.00 +0.027 A ATOM 12 C LIG 1 6.170 1.635 -0.588 0.00 0.00 -0.007 A ATOM 13 C LIG 1 6.979 2.330 -1.514 0.00 0.00 +0.009 A ATOM 14 C LIG 1 7.809 3.380 -1.117 0.00 0.00 +0.001 A ATOM 15 C LIG 1 7.844 3.767 0.217 0.00 0.00 +0.001 A ATOM 16 C LIG 1 7.051 3.101 1.150 0.00 0.00 +0.012 A BRANCH 11 19 ATOM 17 C LIG 1 6.381 -0.958 1.781 0.00 0.00 +0.152 C ATOM 18 N LIG 1 5.500 0.083 2.238 0.00 0.00 -0.317 N ATOM 19 C LIG 1 5.435 1.394 1.832 0.00 0.00 +0.164 A ATOM 20 N LIG 1 4.585 2.021 2.629 0.00 0.00 -0.129 NA ATOM 21 N LIG 1 4.058 1.112 3.516 0.00 0.00 -0.138 NA ATOM 22 C LIG 1 4.614 -0.047 3.264 0.00 0.00 +0.225 A ENDBRANCH 11 19 ENDBRANCH 5 12 ENDBRANCH 1 7 BRANCH 3 23 ATOM 23 C LIG 1 -0.599 0.284 -1.066 0.00 0.00 +0.133 A ATOM 24 N LIG 1 -0.876 -0.963 -1.528 0.00 0.00 -0.227 NA ATOM 25 C LIG 1 -2.174 -1.305 -1.589 0.00 0.00 +0.137 A ATOM 26 N LIG 1 -3.167 -0.475 -1.222 0.00 0.00 -0.198 NA ATOM 27 C LIG 1 -2.833 0.745 -0.770 0.00 0.00 +0.219 A ATOM 28 C LIG 1 -1.547 1.192 -0.668 0.00 0.00 +0.100 A BRANCH 25 29 ATOM 29 C LIG 1 -2.522 -2.679 -2.104 0.00 0.00 +0.057 C ATOM 30 C LIG 1 -2.322 -3.887 -1.213 0.00 0.00 +0.012 C ATOM 31 C LIG 1 -3.713 -3.438 -1.559 0.00 0.00 +0.012 C ENDBRANCH 25 29 BRANCH 27 32 ATOM 32 O LIG 1 -3.819 1.622 -0.368 0.00 0.00 -0.475 OA BRANCH 32 33 ATOM 33 C LIG 1 -5.159 1.119 -0.462 0.00 0.00 +0.246 C BRANCH 33 34 ATOM 34 C LIG 1 -5.531 0.307 0.792 0.00 0.00 +0.125 C BRANCH 34 35 ATOM 35 N LIG 1 -6.916 -0.182 0.791 0.00 0.00 -0.299 NA ATOM 36 C LIG 1 -7.184 -1.053 1.939 0.00 0.00 +0.084 C ATOM 37 C LIG 1 -8.699 -1.159 1.931 0.00 0.00 +0.017 C ATOM 38 C LIG 1 -9.178 0.160 1.335 0.00 0.00 +0.017 C ATOM 39 C LIG 1 -7.915 0.884 0.887 0.00 0.00 +0.084 C ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 27 32 ENDBRANCH 3 23 TORSDOF 9