REMARK Name = BDB056702 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.293 0.294 -3.007 0.00 0.00 +0.234 C ATOM 2 N LIG 1 1.092 0.355 -2.967 0.00 0.00 -0.268 N ATOM 3 C LIG 1 2.012 0.278 -1.944 0.00 0.00 +0.056 A ATOM 4 C LIG 1 3.356 0.338 -2.484 0.00 0.00 -0.012 A ATOM 5 C LIG 1 4.439 0.243 -1.701 0.00 0.00 +0.076 A ATOM 6 C LIG 1 4.271 0.082 -0.234 0.00 0.00 +0.252 A ATOM 7 N LIG 1 2.956 0.060 0.231 0.00 0.00 -0.309 N ATOM 8 O LIG 1 5.270 -0.025 0.471 0.00 0.00 -0.268 OA ATOM 9 C LIG 1 3.298 0.490 -3.983 0.00 0.00 +0.008 C ATOM 10 C LIG 1 3.904 1.828 -4.435 0.00 0.00 +0.017 C ATOM 11 C LIG 1 3.998 -0.672 -4.703 0.00 0.00 +0.017 C ATOM 12 C LIG 1 1.860 0.150 -0.621 0.00 0.00 +0.113 A ATOM 13 C LIG 1 1.783 0.463 -4.260 0.00 0.00 +0.124 C ATOM 14 O LIG 1 -0.891 0.311 -4.096 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 15 ATOM 15 C LIG 1 -1.140 0.200 -1.735 0.00 0.00 +0.181 C BRANCH 15 22 ATOM 16 C LIG 1 -2.742 -3.594 -3.563 0.00 0.00 +0.025 C ATOM 17 C LIG 1 -2.670 -2.388 -2.627 0.00 0.00 +0.065 C ATOM 18 N LIG 1 -3.685 -2.546 -1.574 0.00 0.00 -0.311 NA ATOM 19 H LIG 1 -4.614 -2.521 -1.992 0.00 0.00 +0.122 HD ATOM 20 C LIG 1 -3.573 -1.480 -0.564 0.00 0.00 +0.101 C ATOM 21 C LIG 1 -2.128 -1.288 -0.001 0.00 0.00 +0.085 C ATOM 22 N LIG 1 -1.082 -1.126 -1.071 0.00 0.00 -0.287 NA ATOM 23 C LIG 1 -1.246 -2.254 -2.025 0.00 0.00 +0.103 C BRANCH 21 24 ATOM 24 C LIG 1 -2.107 -0.147 1.071 0.00 0.00 +0.105 C BRANCH 24 25 ATOM 25 N LIG 1 -3.012 -0.354 2.224 0.00 0.00 -0.291 NA ATOM 26 C LIG 1 -3.278 0.880 3.023 0.00 0.00 +0.080 C ATOM 27 C LIG 1 -3.737 2.084 2.196 0.00 0.00 +0.026 C ATOM 28 C LIG 1 -2.104 1.276 3.942 0.00 0.00 +0.178 C ATOM 29 O LIG 1 -1.738 0.204 4.817 0.00 0.00 -0.377 OA ATOM 30 C LIG 1 -1.379 -0.962 4.071 0.00 0.00 +0.178 C ATOM 31 C LIG 1 -2.518 -1.429 3.136 0.00 0.00 +0.080 C ATOM 32 C LIG 1 -3.690 -2.005 3.947 0.00 0.00 +0.026 C ENDBRANCH 24 25 ENDBRANCH 21 24 ENDBRANCH 15 22 ENDBRANCH 1 15 BRANCH 7 33 ATOM 33 C LIG 1 2.740 -0.066 1.670 0.00 0.00 +0.160 C BRANCH 33 34 ATOM 34 C LIG 1 2.796 1.272 2.376 0.00 0.00 -0.027 A ATOM 35 C LIG 1 1.692 2.143 2.361 0.00 0.00 +0.008 A ATOM 36 C LIG 1 1.760 3.378 3.005 0.00 0.00 +0.038 A ATOM 37 C LIG 1 2.928 3.747 3.659 0.00 0.00 +0.123 A ATOM 38 F LIG 1 2.991 4.934 4.276 0.00 0.00 -0.205 F ATOM 39 C LIG 1 4.036 2.907 3.677 0.00 0.00 +0.038 A ATOM 40 C LIG 1 3.971 1.672 3.033 0.00 0.00 +0.008 A ENDBRANCH 33 34 ENDBRANCH 7 33 TORSDOF 6