REMARK Name = BDB064842 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.580 -0.966 -0.280 0.00 0.00 +0.020 A ATOM 2 C LIG 1 -1.832 -2.079 0.130 0.00 0.00 +0.050 A ATOM 3 C LIG 1 -0.522 -2.248 -0.317 0.00 0.00 +0.136 A ATOM 4 F LIG 1 0.166 -3.320 0.100 0.00 0.00 -0.205 F ATOM 5 C LIG 1 0.063 -1.312 -1.162 0.00 0.00 +0.072 A ATOM 6 C LIG 1 -0.665 -0.203 -1.591 0.00 0.00 +0.016 A ATOM 7 C LIG 1 -1.978 -0.030 -1.141 0.00 0.00 +0.012 A ENDROOT BRANCH 1 13 ATOM 8 C LIG 1 -6.961 1.037 0.840 0.00 0.00 +0.064 A ATOM 9 C LIG 1 -5.869 0.171 0.636 0.00 0.00 +0.102 A ATOM 10 C LIG 1 -6.004 -1.174 0.963 0.00 0.00 +0.067 A ATOM 11 N LIG 1 -4.789 -1.728 0.652 0.00 0.00 -0.338 N ATOM 12 H LIG 1 -4.553 -2.704 0.744 0.00 0.00 +0.167 HD ATOM 13 C LIG 1 -3.959 -0.744 0.164 0.00 0.00 +0.139 A ATOM 14 C LIG 1 -7.176 -1.728 1.484 0.00 0.00 +0.028 A ATOM 15 C LIG 1 -8.253 -0.857 1.680 0.00 0.00 +0.003 A ATOM 16 N LIG 1 -4.600 0.411 0.139 0.00 0.00 -0.227 NA ATOM 17 C LIG 1 -8.152 0.500 1.366 0.00 0.00 +0.015 A BRANCH 8 21 ATOM 18 N LIG 1 -5.721 2.963 0.021 0.00 0.00 -0.325 N ATOM 19 H LIG 1 -4.920 2.351 -0.122 0.00 0.00 +0.145 HD ATOM 20 H LIG 1 -5.648 3.945 -0.202 0.00 0.00 +0.145 HD ATOM 21 C LIG 1 -6.896 2.482 0.520 0.00 0.00 +0.244 C ATOM 22 O LIG 1 -7.856 3.222 0.697 0.00 0.00 -0.270 OA ENDBRANCH 8 21 ENDBRANCH 1 13 BRANCH 5 23 ATOM 23 C LIG 1 1.429 -1.514 -1.663 0.00 0.00 +0.249 C ATOM 24 N LIG 1 2.496 -1.212 -0.825 0.00 0.00 -0.294 N ATOM 25 C LIG 1 2.361 -0.659 0.529 0.00 0.00 +0.127 C ATOM 26 C LIG 1 3.686 -0.616 1.301 0.00 0.00 +0.127 C ATOM 27 N LIG 1 4.753 0.042 0.544 0.00 0.00 -0.292 N ATOM 28 C LIG 1 5.762 0.704 1.253 0.00 0.00 +0.282 C ATOM 29 O LIG 1 5.785 0.639 2.485 0.00 0.00 -0.267 OA ATOM 30 C LIG 1 4.771 -0.202 -0.906 0.00 0.00 +0.127 C ATOM 31 C LIG 1 3.860 -1.360 -1.337 0.00 0.00 +0.127 C ATOM 32 O LIG 1 1.550 -1.903 -2.821 0.00 0.00 -0.270 OA BRANCH 28 33 ATOM 33 C LIG 1 6.776 1.466 0.537 0.00 0.00 +0.189 A ATOM 34 O LIG 1 6.611 1.836 -0.773 0.00 0.00 -0.458 OA ATOM 35 C LIG 1 7.701 2.557 -1.137 0.00 0.00 +0.196 A ATOM 36 C LIG 1 8.573 2.676 -0.083 0.00 0.00 +0.042 A ATOM 37 C LIG 1 7.975 1.985 0.997 0.00 0.00 +0.054 A ENDBRANCH 28 33 ENDBRANCH 5 23 TORSDOF 4