REMARK Name = BDB042167 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 5.493 -0.583 0.106 0.00 0.00 -0.282 N ATOM 2 C LIG 1 4.626 -1.655 -0.067 0.00 0.00 +0.251 C ATOM 3 O LIG 1 4.899 -2.838 -0.064 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 3.292 -1.089 -0.284 0.00 0.00 +0.077 A ATOM 5 C LIG 1 3.413 0.298 -0.328 0.00 0.00 -0.015 A ATOM 6 C LIG 1 2.297 1.094 -0.529 0.00 0.00 +0.011 A ATOM 7 C LIG 1 1.042 0.474 -0.681 0.00 0.00 -0.030 A ATOM 8 C LIG 1 0.944 -0.936 -0.633 0.00 0.00 +0.044 A ATOM 9 C LIG 1 2.079 -1.720 -0.434 0.00 0.00 +0.136 A ATOM 10 F LIG 1 1.963 -3.052 -0.387 0.00 0.00 -0.205 F ATOM 11 C LIG 1 4.840 0.692 -0.154 0.00 0.00 +0.144 C ENDROOT BRANCH 1 18 ATOM 12 O LIG 1 10.653 -2.415 -0.511 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 9.523 -1.980 -0.308 0.00 0.00 +0.219 C ATOM 14 N LIG 1 8.710 -1.611 -1.351 0.00 0.00 -0.255 N ATOM 15 H LIG 1 9.088 -1.751 -2.278 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 7.499 -0.961 -1.288 0.00 0.00 +0.240 C ATOM 17 O LIG 1 6.971 -0.532 -2.313 0.00 0.00 -0.273 OA ATOM 18 C LIG 1 6.947 -0.699 0.122 0.00 0.00 +0.163 C ATOM 19 C LIG 1 7.473 -1.741 1.108 0.00 0.00 +0.041 C ATOM 20 C LIG 1 8.994 -1.734 1.085 0.00 0.00 +0.098 C ENDBRANCH 1 18 BRANCH 7 21 ATOM 21 C LIG 1 -0.202 1.316 -0.900 0.00 0.00 +0.119 C BRANCH 21 22 ATOM 22 N LIG 1 -0.479 2.238 0.217 0.00 0.00 -0.296 NA ATOM 23 C LIG 1 -1.605 3.138 -0.128 0.00 0.00 +0.100 C ATOM 24 C LIG 1 -3.024 2.671 0.306 0.00 0.00 +0.100 C ATOM 25 N LIG 1 -3.135 1.201 0.394 0.00 0.00 -0.289 NA ATOM 26 C LIG 1 -2.160 0.716 1.404 0.00 0.00 +0.100 C ATOM 27 C LIG 1 -0.831 1.517 1.457 0.00 0.00 +0.100 C BRANCH 25 28 ATOM 28 C LIG 1 -4.523 0.753 0.706 0.00 0.00 +0.117 C BRANCH 28 29 ATOM 29 C LIG 1 -5.560 1.210 -0.329 0.00 0.00 -0.026 A ATOM 30 C LIG 1 -6.804 1.705 0.100 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -7.768 2.111 -0.825 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -7.507 2.021 -2.191 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -6.284 1.524 -2.634 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -5.319 1.118 -1.711 0.00 0.00 +0.005 A ENDBRANCH 28 29 BRANCH 28 35 ATOM 35 C LIG 1 -4.639 -0.764 0.914 0.00 0.00 -0.026 A ATOM 36 C LIG 1 -5.303 -1.267 2.047 0.00 0.00 +0.005 A ATOM 37 C LIG 1 -5.425 -2.643 2.249 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -4.891 -3.536 1.322 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -4.237 -3.055 0.190 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -4.115 -1.680 -0.015 0.00 0.00 +0.005 A ENDBRANCH 28 35 ENDBRANCH 25 28 ENDBRANCH 21 22 ENDBRANCH 7 21 TORSDOF 6