REMARK Name = BDB060636 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.417 -0.254 -0.654 0.00 0.00 +0.231 A ATOM 2 N LIG 1 -0.550 1.035 -0.153 0.00 0.00 -0.199 N ATOM 3 N LIG 1 0.585 1.375 0.503 0.00 0.00 -0.143 NA ATOM 4 C LIG 1 1.452 0.438 0.087 0.00 0.00 +0.184 A ATOM 5 N LIG 1 0.863 -0.557 -0.652 0.00 0.00 -0.192 NA ENDROOT BRANCH 1 11 ATOM 6 O LIG 1 -4.622 0.804 2.737 0.00 0.00 -0.288 OA ATOM 7 C LIG 1 -4.017 0.120 1.923 0.00 0.00 +0.179 C ATOM 8 C LIG 1 -4.466 0.021 0.514 0.00 0.00 +0.051 C ATOM 9 C LIG 1 -3.781 -0.713 -0.378 0.00 0.00 +0.036 C ATOM 10 C LIG 1 -2.542 -1.489 -0.047 0.00 0.00 +0.185 C ATOM 11 N LIG 1 -1.450 -1.150 -0.923 0.00 0.00 -0.201 N ATOM 12 C LIG 1 -1.169 -2.223 -1.758 0.00 0.00 +0.251 C ATOM 13 O LIG 1 -0.311 -2.320 -2.622 0.00 0.00 -0.273 OA ATOM 14 C LIG 1 -2.188 -3.285 -1.469 0.00 0.00 +0.259 C ATOM 15 O LIG 1 -2.857 -2.865 -0.281 0.00 0.00 -0.339 OA ATOM 16 C LIG 1 -2.152 -1.389 1.401 0.00 0.00 +0.036 C ATOM 17 C LIG 1 -2.811 -0.649 2.307 0.00 0.00 +0.051 C ENDBRANCH 1 11 BRANCH 4 18 ATOM 18 C LIG 1 2.887 0.484 0.397 0.00 0.00 +0.029 A ATOM 19 C LIG 1 3.708 -0.682 0.521 0.00 0.00 -0.007 A ATOM 20 C LIG 1 5.088 -0.502 0.813 0.00 0.00 -0.017 A ATOM 21 C LIG 1 5.940 -1.613 0.946 0.00 0.00 +0.008 A ATOM 22 C LIG 1 5.460 -2.911 0.802 0.00 0.00 +0.001 A ATOM 23 C LIG 1 4.118 -3.117 0.525 0.00 0.00 +0.001 A ATOM 24 C LIG 1 5.618 0.785 0.977 0.00 0.00 +0.008 A ATOM 25 C LIG 1 4.811 1.911 0.863 0.00 0.00 +0.001 A ATOM 26 C LIG 1 3.259 -2.022 0.390 0.00 0.00 +0.009 A ATOM 27 C LIG 1 3.459 1.760 0.578 0.00 0.00 +0.012 A ENDBRANCH 4 18 BRANCH 2 28 ATOM 28 C LIG 1 -1.574 1.992 -0.353 0.00 0.00 +0.069 A ATOM 29 C LIG 1 -1.709 3.054 0.551 0.00 0.00 +0.028 A ATOM 30 C LIG 1 -2.705 4.012 0.355 0.00 0.00 +0.002 A ATOM 31 C LIG 1 -3.546 3.930 -0.753 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -3.388 2.897 -1.677 0.00 0.00 +0.002 A ATOM 33 C LIG 1 -2.400 1.929 -1.483 0.00 0.00 +0.028 A ENDBRANCH 2 28 TORSDOF 3