REMARK Name = BDB064358 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.591 -0.456 1.486 0.00 0.00 -0.260 N ATOM 2 C LIG 1 0.628 0.519 1.290 0.00 0.00 +0.253 C ATOM 3 O LIG 1 0.727 1.677 1.680 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -0.579 0.076 0.563 0.00 0.00 +0.080 A ATOM 5 C LIG 1 -1.571 0.995 0.205 0.00 0.00 +0.022 A ATOM 6 C LIG 1 -2.734 0.559 -0.445 0.00 0.00 -0.026 A ATOM 7 C LIG 1 -2.885 -0.812 -0.712 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -1.896 -1.748 -0.352 0.00 0.00 +0.025 A ATOM 9 C LIG 1 -0.732 -1.282 0.280 0.00 0.00 +0.143 A ATOM 10 O LIG 1 0.219 -2.198 0.652 0.00 0.00 -0.472 OA ATOM 11 C LIG 1 1.533 -1.643 0.669 0.00 0.00 +0.342 C ENDROOT BRANCH 8 12 ATOM 12 C LIG 1 -2.105 -3.175 -0.647 0.00 0.00 -0.011 A ATOM 13 C LIG 1 -1.707 -3.756 -1.874 0.00 0.00 -0.040 A ATOM 14 C LIG 1 -1.031 -2.946 -2.947 0.00 0.00 +0.044 C ATOM 15 C LIG 1 -1.944 -5.123 -2.097 0.00 0.00 +0.042 A ATOM 16 C LIG 1 -2.560 -5.896 -1.120 0.00 0.00 +0.124 A ATOM 17 F LIG 1 -2.777 -7.198 -1.351 0.00 0.00 -0.205 F ATOM 18 C LIG 1 -2.953 -5.342 0.088 0.00 0.00 +0.039 A ATOM 19 C LIG 1 -2.726 -3.986 0.323 0.00 0.00 +0.012 A ENDBRANCH 8 12 BRANCH 1 20 ATOM 20 C LIG 1 2.869 -0.092 2.079 0.00 0.00 +0.146 C BRANCH 20 25 ATOM 21 C LIG 1 4.813 1.889 -0.538 0.00 0.00 +0.124 A ATOM 22 C LIG 1 5.789 0.959 -0.912 0.00 0.00 +0.091 A ATOM 23 C LIG 1 5.835 -0.302 -0.318 0.00 0.00 +0.124 A ATOM 24 C LIG 1 4.892 -0.633 0.657 0.00 0.00 +0.051 A ATOM 25 C LIG 1 3.906 0.284 1.046 0.00 0.00 -0.023 A ATOM 26 C LIG 1 3.876 1.549 0.439 0.00 0.00 +0.051 A BRANCH 21 28 ATOM 27 C LIG 1 3.913 4.068 -0.849 0.00 0.00 +0.277 C ATOM 28 O LIG 1 4.879 3.084 -1.202 0.00 0.00 -0.495 OA ENDBRANCH 21 28 BRANCH 23 29 ATOM 29 O LIG 1 6.734 -1.294 -0.600 0.00 0.00 -0.495 OA ATOM 30 C LIG 1 7.744 -0.990 -1.555 0.00 0.00 +0.277 C ENDBRANCH 23 29 ENDBRANCH 20 25 ENDBRANCH 1 20 BRANCH 6 31 ATOM 31 C LIG 1 -3.816 1.541 -0.839 0.00 0.00 +0.159 C BRANCH 31 32 ATOM 32 N LIG 1 -4.466 2.110 0.322 0.00 0.00 -0.313 N ATOM 33 C LIG 1 -4.253 3.397 0.831 0.00 0.00 +0.204 A ATOM 34 N LIG 1 -3.481 4.335 0.414 0.00 0.00 -0.268 NA ATOM 35 H LIG 1 -2.974 4.032 -0.415 0.00 0.00 +0.190 HD ATOM 36 N LIG 1 -5.087 3.463 1.951 0.00 0.00 -0.320 N ATOM 37 C LIG 1 -5.077 4.571 2.874 0.00 0.00 +0.152 C ATOM 38 C LIG 1 -5.731 2.251 2.136 0.00 0.00 +0.106 A ATOM 39 C LIG 1 -5.365 1.432 1.141 0.00 0.00 +0.107 A ENDBRANCH 31 32 ENDBRANCH 6 31 TORSDOF 7