REMARK Name = BDB035223 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.966 -2.260 -1.575 0.00 0.00 +0.086 C ATOM 2 C LIG 1 4.079 -1.512 -0.606 0.00 0.00 +0.111 A ATOM 3 N LIG 1 4.469 -0.306 -0.061 0.00 0.00 -0.284 N ATOM 4 C LIG 1 3.588 0.405 0.767 0.00 0.00 +0.264 A ATOM 5 O LIG 1 3.867 1.500 1.260 0.00 0.00 -0.267 OA ATOM 6 C LIG 1 2.282 -0.213 1.080 0.00 0.00 +0.086 A ATOM 7 C LIG 1 2.047 -1.469 0.525 0.00 0.00 +0.080 A ATOM 8 C LIG 1 0.849 -2.131 0.803 0.00 0.00 +0.029 A ATOM 9 C LIG 1 -0.106 -1.548 1.630 0.00 0.00 +0.004 A ATOM 10 C LIG 1 0.130 -0.288 2.178 0.00 0.00 +0.024 A ATOM 11 C LIG 1 1.320 0.403 1.915 0.00 0.00 +0.042 A ATOM 12 N LIG 1 2.956 -2.094 -0.330 0.00 0.00 -0.234 NA ENDROOT BRANCH 3 13 ATOM 13 C LIG 1 5.771 0.348 -0.307 0.00 0.00 +0.178 C ATOM 14 C LIG 1 5.894 0.895 -1.731 0.00 0.00 +0.242 C ATOM 15 O LIG 1 4.941 1.063 -2.488 0.00 0.00 -0.273 OA ATOM 16 N LIG 1 7.171 1.230 -2.126 0.00 0.00 -0.255 N ATOM 17 H LIG 1 7.260 1.587 -3.069 0.00 0.00 +0.158 HD ATOM 18 C LIG 1 8.351 0.941 -1.487 0.00 0.00 +0.219 C ATOM 19 O LIG 1 9.431 1.162 -2.026 0.00 0.00 -0.275 OA ATOM 20 C LIG 1 8.247 0.388 -0.083 0.00 0.00 +0.099 C ATOM 21 C LIG 1 7.001 -0.473 0.084 0.00 0.00 +0.044 C ENDBRANCH 3 13 BRANCH 11 22 ATOM 22 N LIG 1 1.471 1.716 2.442 0.00 0.00 -0.341 N ATOM 23 H LIG 1 2.483 1.911 2.448 0.00 0.00 +0.146 HD BRANCH 22 24 ATOM 24 C LIG 1 0.845 2.754 1.591 0.00 0.00 +0.129 C BRANCH 24 25 ATOM 25 C LIG 1 -0.615 3.060 1.970 0.00 0.00 +0.178 C BRANCH 25 26 ATOM 26 O LIG 1 -1.559 2.122 1.451 0.00 0.00 -0.377 OA BRANCH 26 27 ATOM 27 C LIG 1 -1.864 2.307 0.069 0.00 0.00 +0.175 C BRANCH 27 28 ATOM 28 C LIG 1 -2.785 1.175 -0.419 0.00 0.00 +0.109 C BRANCH 28 29 ATOM 29 N LIG 1 -4.136 1.289 0.143 0.00 0.00 -0.308 NA ATOM 30 H LIG 1 -4.571 2.153 -0.176 0.00 0.00 +0.123 HD BRANCH 29 31 ATOM 31 C LIG 1 -5.009 0.154 -0.099 0.00 0.00 +0.023 C ATOM 32 C LIG 1 -5.327 -0.146 -1.583 0.00 0.00 +0.026 C ATOM 33 C LIG 1 -5.814 -1.595 -1.490 0.00 0.00 -0.009 C ATOM 34 C LIG 1 -4.646 -2.199 -0.704 0.00 0.00 +0.009 C ATOM 35 C LIG 1 -7.111 -1.664 -0.640 0.00 0.00 +0.007 C ATOM 36 C LIG 1 -6.910 -1.008 0.754 0.00 0.00 -0.009 C ATOM 37 C LIG 1 -5.704 -1.635 1.455 0.00 0.00 +0.009 C ATOM 38 C LIG 1 -4.568 -1.242 0.497 0.00 0.00 +0.010 C ATOM 39 C LIG 1 -6.378 0.415 0.585 0.00 0.00 +0.026 C ENDBRANCH 29 31 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 22 24 ENDBRANCH 11 22 TORSDOF 9