REMARK Name = BDB016717 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.641 0.935 2.387 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -3.590 1.831 1.302 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -2.442 1.854 0.501 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -1.336 1.049 0.734 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -0.408 1.387 -0.300 0.00 0.00 +0.093 A ATOM 6 N LIG 1 -0.908 2.332 -1.111 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 -1.369 0.169 1.831 0.00 0.00 +0.012 A ATOM 8 N LIG 1 -2.123 2.589 -0.605 0.00 0.00 -0.276 N ATOM 9 H LIG 1 -2.696 3.286 -1.068 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -2.517 0.131 2.639 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -6.429 -0.956 -0.853 0.00 0.00 +0.120 A ATOM 12 C LIG 1 -5.843 -0.726 0.401 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -6.531 0.014 1.351 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -6.218 0.438 2.758 0.00 0.00 +0.081 C ATOM 15 C LIG 1 -4.863 0.878 3.275 0.00 0.00 +0.040 C ATOM 16 C LIG 1 -7.458 1.180 3.201 0.00 0.00 +0.228 C ATOM 17 N LIG 1 -8.335 1.182 2.131 0.00 0.00 -0.284 N ATOM 18 H LIG 1 -9.245 1.613 2.174 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 -7.629 1.678 4.301 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 -5.457 -0.451 3.699 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -7.809 0.497 1.034 0.00 0.00 +0.038 A ATOM 22 C LIG 1 -8.417 0.288 -0.185 0.00 0.00 +0.027 A ATOM 23 C LIG 1 -7.709 -0.448 -1.140 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 -6.169 -1.926 -3.012 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -5.653 -1.692 -1.708 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 0.889 0.794 -0.459 0.00 0.00 +0.031 C ATOM 27 C LIG 1 1.773 1.130 -1.415 0.00 0.00 +0.010 C BRANCH 27 28 ATOM 28 C LIG 1 3.100 0.520 -1.557 0.00 0.00 -0.025 A ATOM 29 C LIG 1 4.189 1.336 -1.882 0.00 0.00 +0.008 A ATOM 30 C LIG 1 5.464 0.787 -2.050 0.00 0.00 +0.005 A ATOM 31 C LIG 1 5.674 -0.591 -1.904 0.00 0.00 -0.033 A ATOM 32 C LIG 1 4.580 -1.410 -1.598 0.00 0.00 +0.005 A ATOM 33 C LIG 1 3.305 -0.859 -1.429 0.00 0.00 +0.008 A BRANCH 31 34 ATOM 34 C LIG 1 7.053 -1.184 -2.101 0.00 0.00 +0.119 C BRANCH 34 35 ATOM 35 N LIG 1 8.057 -0.615 -1.200 0.00 0.00 -0.295 NA ATOM 36 C LIG 1 7.817 -0.920 0.222 0.00 0.00 +0.121 C ATOM 37 C LIG 1 9.201 -0.918 0.874 0.00 0.00 +0.181 C ATOM 38 F LIG 1 9.302 0.058 1.809 0.00 0.00 -0.244 F ATOM 39 C LIG 1 10.174 -0.649 -0.258 0.00 0.00 +0.053 C ATOM 40 C LIG 1 9.408 -1.096 -1.489 0.00 0.00 +0.087 C ENDBRANCH 34 35 ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 5 26 TORSDOF 6