REMARK Name = BDB050748 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.300 0.784 -0.744 0.00 0.00 +0.075 A ATOM 2 C LIG 1 -1.564 0.966 -2.096 0.00 0.00 +0.170 A ATOM 3 F LIG 1 -0.862 1.848 -2.824 0.00 0.00 -0.202 F ATOM 4 C LIG 1 -2.564 0.218 -2.701 0.00 0.00 +0.159 A ATOM 5 F LIG 1 -2.810 0.363 -4.010 0.00 0.00 -0.202 F ATOM 6 C LIG 1 -3.324 -0.691 -1.963 0.00 0.00 +0.045 A ATOM 7 C LIG 1 -3.098 -0.850 -0.587 0.00 0.00 -0.038 A ATOM 8 C LIG 1 -2.068 -0.110 0.015 0.00 0.00 +0.020 A ENDROOT BRANCH 1 13 ATOM 9 N LIG 1 3.802 0.451 -0.179 0.00 0.00 -0.327 N ATOM 10 C LIG 1 3.100 0.401 -1.472 0.00 0.00 +0.124 C ATOM 11 C LIG 1 1.572 0.361 -1.272 0.00 0.00 +0.127 C ATOM 12 N LIG 1 1.058 1.428 -0.400 0.00 0.00 -0.294 N ATOM 13 C LIG 1 -0.278 1.588 -0.057 0.00 0.00 +0.250 C ATOM 14 O LIG 1 -0.674 2.335 0.835 0.00 0.00 -0.270 OA ATOM 15 C LIG 1 2.074 2.194 0.326 0.00 0.00 +0.127 C ATOM 16 C LIG 1 3.198 1.297 0.874 0.00 0.00 +0.124 C BRANCH 9 20 ATOM 17 C LIG 1 7.866 -0.709 0.208 0.00 0.00 +0.120 A ATOM 18 C LIG 1 7.073 -0.514 1.332 0.00 0.00 +0.047 A ATOM 19 C LIG 1 5.731 -0.128 1.190 0.00 0.00 +0.027 A ATOM 20 C LIG 1 5.137 0.080 -0.066 0.00 0.00 +0.030 A ATOM 21 C LIG 1 5.958 -0.133 -1.182 0.00 0.00 +0.027 A ATOM 22 C LIG 1 7.300 -0.517 -1.049 0.00 0.00 +0.047 A BRANCH 17 24 ATOM 23 C LIG 1 9.799 -1.283 1.463 0.00 0.00 +0.277 C ATOM 24 O LIG 1 9.181 -1.082 0.199 0.00 0.00 -0.495 OA ENDBRANCH 17 24 ENDBRANCH 9 20 ENDBRANCH 1 13 BRANCH 7 25 ATOM 25 C LIG 1 -3.920 -1.820 0.232 0.00 0.00 +0.093 C BRANCH 25 26 ATOM 26 C LIG 1 -5.422 -1.647 0.049 0.00 0.00 +0.074 A ATOM 27 C LIG 1 -6.136 -0.538 0.735 0.00 0.00 +0.011 A ATOM 28 C LIG 1 -7.508 -0.432 0.511 0.00 0.00 +0.050 A ATOM 29 C LIG 1 -8.254 0.586 1.117 0.00 0.00 +0.014 A ATOM 30 C LIG 1 -7.621 1.506 1.951 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -6.250 1.406 2.179 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -8.169 -1.406 -0.372 0.00 0.00 +0.272 A ATOM 33 O LIG 1 -9.374 -1.355 -0.593 0.00 0.00 -0.266 OA ATOM 34 N LIG 1 -7.360 -2.366 -0.926 0.00 0.00 -0.242 N ATOM 35 H LIG 1 -7.801 -3.047 -1.538 0.00 0.00 +0.192 HD ATOM 36 C LIG 1 -5.505 0.387 1.575 0.00 0.00 +0.010 A ATOM 37 N LIG 1 -6.021 -2.497 -0.734 0.00 0.00 -0.175 NA ENDBRANCH 25 26 ENDBRANCH 7 25 TORSDOF 5