REMARK Name = BDB031319 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.622 -2.622 0.821 0.00 0.00 +0.039 A ATOM 2 C LIG 1 -2.313 -2.743 1.308 0.00 0.00 +0.043 A ATOM 3 C LIG 1 -1.417 -1.681 1.116 0.00 0.00 +0.090 A ATOM 4 N LIG 1 -0.102 -1.602 1.470 0.00 0.00 -0.231 NA ATOM 5 C LIG 1 0.302 -0.409 1.080 0.00 0.00 +0.126 A ATOM 6 N LIG 1 -0.716 0.303 0.462 0.00 0.00 -0.295 N ATOM 7 C LIG 1 -1.842 -0.515 0.484 0.00 0.00 +0.074 A ATOM 8 C LIG 1 -3.148 -0.381 -0.019 0.00 0.00 +0.029 A ATOM 9 C LIG 1 -4.032 -1.451 0.171 0.00 0.00 +0.015 A ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -0.647 1.621 -0.061 0.00 0.00 +0.050 A ATOM 11 C LIG 1 -1.684 2.529 0.211 0.00 0.00 +0.054 A ATOM 12 C LIG 1 -1.550 3.791 -0.318 0.00 0.00 +0.069 A ATOM 13 C LIG 1 -0.453 4.163 -1.093 0.00 0.00 +0.067 A ATOM 14 N LIG 1 -0.624 5.490 -1.468 0.00 0.00 -0.306 N ATOM 15 H LIG 1 -0.008 6.053 -2.031 0.00 0.00 +0.170 HD ATOM 16 C LIG 1 -1.828 5.961 -0.924 0.00 0.00 +0.325 A ATOM 17 O LIG 1 -2.294 7.079 -1.047 0.00 0.00 -0.247 OA ATOM 18 C LIG 1 0.569 3.292 -1.384 0.00 0.00 +0.030 A ATOM 19 N LIG 1 -2.391 4.893 -0.211 0.00 0.00 -0.306 N ATOM 20 H LIG 1 -3.264 4.955 0.287 0.00 0.00 +0.170 HD ATOM 21 C LIG 1 0.463 2.000 -0.855 0.00 0.00 +0.028 A ENDBRANCH 6 10 BRANCH 1 25 ATOM 22 C LIG 1 -6.385 -5.098 0.107 0.00 0.00 +0.128 C ATOM 23 N LIG 1 -5.518 -3.947 0.061 0.00 0.00 -0.314 N ATOM 24 H LIG 1 -5.396 -3.488 -0.832 0.00 0.00 +0.149 HD ATOM 25 C LIG 1 -4.554 -3.762 1.032 0.00 0.00 +0.244 C ATOM 26 O LIG 1 -4.423 -4.493 2.006 0.00 0.00 -0.270 OA ENDBRANCH 1 25 BRANCH 5 27 ATOM 27 C LIG 1 1.748 0.114 1.495 0.00 0.00 +0.054 C ATOM 28 C LIG 1 1.836 1.364 2.353 0.00 0.00 +0.020 C ATOM 29 C LIG 1 2.050 0.030 2.990 0.00 0.00 +0.020 C BRANCH 27 30 ATOM 30 C LIG 1 2.878 -0.307 0.562 0.00 0.00 -0.034 A ATOM 31 C LIG 1 3.722 0.620 -0.076 0.00 0.00 +0.008 A ATOM 32 C LIG 1 4.760 0.215 -0.928 0.00 0.00 +0.046 A ATOM 33 C LIG 1 4.985 -1.138 -1.164 0.00 0.00 +0.120 A ATOM 34 C LIG 1 4.165 -2.076 -0.540 0.00 0.00 +0.046 A ATOM 35 C LIG 1 3.133 -1.666 0.311 0.00 0.00 +0.008 A BRANCH 33 36 ATOM 36 O LIG 1 5.955 -1.667 -1.968 0.00 0.00 -0.495 OA ATOM 37 C LIG 1 6.840 -0.750 -2.598 0.00 0.00 +0.277 C ENDBRANCH 33 36 ENDBRANCH 27 30 ENDBRANCH 5 27 TORSDOF 5