REMARK Name = BDB018611 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.328 -0.056 -1.937 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -0.648 -1.250 -1.708 0.00 0.00 +0.135 A ATOM 3 F LIG 1 0.692 -1.288 -1.680 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.349 -2.432 -1.494 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -2.745 -2.427 -1.526 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -3.451 -1.240 -1.778 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -2.729 -0.057 -2.000 0.00 0.00 +0.020 A ENDROOT BRANCH 1 16 ATOM 8 C LIG 1 2.143 0.932 1.938 0.00 0.00 +0.032 C ATOM 9 C LIG 1 2.068 0.958 0.409 0.00 0.00 +0.104 C ATOM 10 N LIG 1 2.939 1.954 -0.201 0.00 0.00 -0.307 N ATOM 11 C LIG 1 2.526 2.828 -1.180 0.00 0.00 +0.151 A ATOM 12 N LIG 1 3.520 3.635 -1.478 0.00 0.00 -0.133 NA ATOM 13 N LIG 1 4.620 3.223 -0.773 0.00 0.00 -0.132 NA ATOM 14 C LIG 1 1.166 2.811 -1.779 0.00 0.00 +0.184 C ATOM 15 N LIG 1 0.459 1.590 -1.395 0.00 0.00 -0.288 N ATOM 16 C LIG 1 -0.612 1.209 -2.202 0.00 0.00 +0.250 C ATOM 17 O LIG 1 -1.010 1.893 -3.143 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 4.290 2.160 -0.061 0.00 0.00 +0.165 A ATOM 19 C LIG 1 0.597 1.210 0.011 0.00 0.00 +0.133 C BRANCH 18 20 ATOM 20 C LIG 1 5.230 1.351 0.753 0.00 0.00 +0.215 C ATOM 21 O LIG 1 4.923 -0.042 0.584 0.00 0.00 -0.336 OA ATOM 22 C LIG 1 6.181 -0.722 0.709 0.00 0.00 +0.166 C ATOM 23 C LIG 1 6.176 -1.534 1.997 0.00 0.00 +0.074 C ATOM 24 C LIG 1 6.370 -1.619 -0.509 0.00 0.00 +0.074 C ATOM 25 O LIG 1 7.248 0.231 0.774 0.00 0.00 -0.346 OA ATOM 26 C LIG 1 6.668 1.447 0.294 0.00 0.00 +0.203 C ENDBRANCH 18 20 ENDBRANCH 1 16 BRANCH 6 27 ATOM 27 C LIG 1 -4.963 -1.248 -1.842 0.00 0.00 +0.093 C BRANCH 27 28 ATOM 28 C LIG 1 -5.603 -1.669 -0.524 0.00 0.00 +0.074 A ATOM 29 C LIG 1 -5.805 -0.674 0.561 0.00 0.00 +0.011 A ATOM 30 C LIG 1 -6.361 -1.139 1.752 0.00 0.00 +0.050 A ATOM 31 C LIG 1 -6.580 -0.268 2.827 0.00 0.00 +0.014 A ATOM 32 C LIG 1 -6.242 1.078 2.708 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -5.689 1.551 1.519 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -6.724 -2.560 1.871 0.00 0.00 +0.272 A ATOM 35 O LIG 1 -7.210 -3.012 2.901 0.00 0.00 -0.266 OA ATOM 36 N LIG 1 -6.487 -3.338 0.765 0.00 0.00 -0.242 N ATOM 37 H LIG 1 -6.735 -4.321 0.828 0.00 0.00 +0.192 HD ATOM 38 C LIG 1 -5.471 0.680 0.446 0.00 0.00 +0.010 A ATOM 39 N LIG 1 -5.934 -2.922 -0.404 0.00 0.00 -0.175 NA ENDBRANCH 27 28 ENDBRANCH 6 27 TORSDOF 4