REMARK Name = BDB004632 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.629 -1.339 -0.511 0.00 0.00 +0.034 A ATOM 2 C LIG 1 0.389 -0.945 -1.018 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -0.709 -1.822 -0.998 0.00 0.00 -0.029 A ATOM 4 C LIG 1 -0.555 -3.099 -0.444 0.00 0.00 +0.005 A ATOM 5 C LIG 1 0.680 -3.501 0.061 0.00 0.00 +0.002 A ATOM 6 C LIG 1 1.767 -2.625 0.024 0.00 0.00 +0.023 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 2.891 0.787 -0.947 0.00 0.00 +0.267 C ATOM 8 N LIG 1 2.766 -0.515 -0.501 0.00 0.00 -0.280 N ATOM 9 H LIG 1 3.629 -0.898 -0.119 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 2.016 1.490 -1.439 0.00 0.00 -0.268 OA BRANCH 7 13 ATOM 11 C LIG 1 6.436 0.912 0.008 0.00 0.00 +0.122 A ATOM 12 N LIG 1 5.174 0.474 -0.185 0.00 0.00 -0.227 NA ATOM 13 C LIG 1 4.280 1.327 -0.767 0.00 0.00 +0.128 A ATOM 14 C LIG 1 4.585 2.614 -1.180 0.00 0.00 +0.033 A ATOM 15 C LIG 1 5.886 3.052 -0.996 0.00 0.00 +0.006 A ATOM 16 C LIG 1 6.814 2.195 -0.404 0.00 0.00 +0.044 A BRANCH 11 18 ATOM 17 C LIG 1 8.033 0.621 1.779 0.00 0.00 +0.130 C ATOM 18 N LIG 1 7.388 0.055 0.593 0.00 0.00 -0.321 N ATOM 19 C LIG 1 6.916 -1.318 0.766 0.00 0.00 +0.130 C ENDBRANCH 11 18 ENDBRANCH 7 13 ENDBRANCH 1 8 BRANCH 3 20 ATOM 20 C LIG 1 -2.054 -1.375 -1.526 0.00 0.00 +0.138 C BRANCH 20 21 ATOM 21 N LIG 1 -2.870 -0.941 -0.398 0.00 0.00 -0.324 N ATOM 22 H LIG 1 -2.378 -0.232 0.140 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 -4.151 -0.457 -0.736 0.00 0.00 +0.130 A ATOM 24 C LIG 1 -5.006 0.010 0.284 0.00 0.00 +0.041 A ATOM 25 C LIG 1 -6.267 0.492 -0.119 0.00 0.00 +0.088 A ATOM 26 C LIG 1 -7.130 0.978 0.886 0.00 0.00 +0.063 A ATOM 27 C LIG 1 -6.754 0.971 2.244 0.00 0.00 +0.015 A ATOM 28 C LIG 1 -5.518 0.479 2.630 0.00 0.00 +0.002 A ATOM 29 N LIG 1 -6.617 0.476 -1.425 0.00 0.00 -0.235 NA ATOM 30 C LIG 1 -5.738 -0.018 -2.305 0.00 0.00 +0.223 A ATOM 31 C LIG 1 -4.652 0.001 1.658 0.00 0.00 +0.013 A ATOM 32 N LIG 1 -4.525 -0.488 -2.024 0.00 0.00 -0.220 NA BRANCH 26 33 ATOM 33 C LIG 1 -8.494 1.528 0.601 0.00 0.00 +0.244 C ATOM 34 O LIG 1 -9.228 1.925 1.500 0.00 0.00 -0.270 OA ATOM 35 N LIG 1 -8.916 1.582 -0.694 0.00 0.00 -0.325 N ATOM 36 H LIG 1 -8.331 1.233 -1.448 0.00 0.00 +0.145 HD ATOM 37 H LIG 1 -9.842 1.932 -0.894 0.00 0.00 +0.145 HD ENDBRANCH 26 33 ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 3 20 TORSDOF 7