REMARK Name = BDB062323 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.399 -1.608 0.436 0.00 0.00 +0.018 A ATOM 2 C LIG 1 -0.130 -0.686 1.347 0.00 0.00 +0.015 A ATOM 3 C LIG 1 -1.507 -0.633 1.591 0.00 0.00 +0.046 A ATOM 4 C LIG 1 -2.370 -1.497 0.921 0.00 0.00 +0.121 A ATOM 5 C LIG 1 -1.843 -2.404 -0.004 0.00 0.00 +0.046 A ATOM 6 C LIG 1 -0.468 -2.463 -0.251 0.00 0.00 +0.015 A ENDROOT BRANCH 1 14 ATOM 7 C LIG 1 6.083 0.546 0.122 0.00 0.00 +0.126 A ATOM 8 C LIG 1 4.707 0.536 0.335 0.00 0.00 +0.074 A ATOM 9 C LIG 1 3.970 -0.641 0.168 0.00 0.00 +0.085 A ATOM 10 C LIG 1 4.626 -1.820 -0.217 0.00 0.00 +0.106 A ATOM 11 C LIG 1 3.771 -3.023 -0.367 0.00 0.00 +0.263 A ATOM 12 N LIG 1 2.424 -2.826 -0.175 0.00 0.00 -0.306 N ATOM 13 H LIG 1 1.875 -3.669 -0.236 0.00 0.00 +0.170 HD ATOM 14 C LIG 1 1.870 -1.631 0.214 0.00 0.00 +0.141 A ATOM 15 O LIG 1 4.181 -4.147 -0.628 0.00 0.00 -0.267 OA ATOM 16 C LIG 1 6.015 -1.828 -0.436 0.00 0.00 +0.138 A ATOM 17 N LIG 1 2.585 -0.570 0.401 0.00 0.00 -0.229 NA ATOM 18 C LIG 1 6.728 -0.635 -0.260 0.00 0.00 +0.092 A BRANCH 7 20 ATOM 19 C LIG 1 6.298 2.864 0.609 0.00 0.00 +0.277 C ATOM 20 O LIG 1 6.909 1.629 0.253 0.00 0.00 -0.495 OA ENDBRANCH 7 20 BRANCH 16 21 ATOM 21 O LIG 1 6.593 -3.007 -0.816 0.00 0.00 -0.494 OA ATOM 22 C LIG 1 7.998 -3.035 -1.026 0.00 0.00 +0.277 C ENDBRANCH 16 21 ENDBRANCH 1 14 BRANCH 4 23 ATOM 23 O LIG 1 -3.728 -1.551 1.048 0.00 0.00 -0.489 OA BRANCH 23 24 ATOM 24 C LIG 1 -4.364 -0.758 2.057 0.00 0.00 +0.270 C BRANCH 24 25 ATOM 25 C LIG 1 -4.714 0.635 1.532 0.00 0.00 +0.270 C BRANCH 25 26 ATOM 26 O LIG 1 -5.662 0.490 0.457 0.00 0.00 -0.488 OA BRANCH 26 27 ATOM 27 C LIG 1 -5.968 1.718 -0.075 0.00 0.00 +0.133 A ATOM 28 C LIG 1 -5.332 2.215 -1.221 0.00 0.00 +0.078 A ATOM 29 C LIG 1 -5.699 3.485 -1.697 0.00 0.00 +0.017 A ATOM 30 C LIG 1 -6.702 4.224 -1.064 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -7.352 3.702 0.052 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -6.990 2.448 0.543 0.00 0.00 +0.046 A BRANCH 28 33 ATOM 33 C LIG 1 -4.270 1.492 -1.979 0.00 0.00 +0.245 C ATOM 34 O LIG 1 -3.547 2.075 -2.780 0.00 0.00 -0.270 OA ATOM 35 N LIG 1 -4.126 0.153 -1.768 0.00 0.00 -0.325 N ATOM 36 H LIG 1 -4.639 -0.339 -1.044 0.00 0.00 +0.145 HD ATOM 37 H LIG 1 -3.352 -0.318 -2.215 0.00 0.00 +0.145 HD ENDBRANCH 28 33 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 4 23 TORSDOF 9