REMARK Name = BDB039469 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.261 0.196 1.271 0.00 0.00 +0.001 A ATOM 2 C LIG 1 0.889 0.226 0.006 0.00 0.00 +0.016 A ATOM 3 C LIG 1 2.265 0.382 -0.066 0.00 0.00 -0.017 A ATOM 4 C LIG 1 3.160 0.416 -1.259 0.00 0.00 +0.144 C ATOM 5 N LIG 1 4.465 0.690 -0.675 0.00 0.00 -0.282 N ATOM 6 C LIG 1 4.431 0.641 0.712 0.00 0.00 +0.248 C ATOM 7 O LIG 1 5.361 0.685 1.493 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 3.022 0.501 1.096 0.00 0.00 +0.042 A ATOM 9 C LIG 1 2.461 0.468 2.354 0.00 0.00 +0.014 A ATOM 10 C LIG 1 1.073 0.313 2.432 0.00 0.00 +0.011 A ENDROOT BRANCH 1 16 ATOM 11 N LIG 1 -3.546 -1.700 3.472 0.00 0.00 -0.318 N ATOM 12 C LIG 1 -2.923 -0.929 2.525 0.00 0.00 +0.143 A ATOM 13 C LIG 1 -3.905 -0.353 1.727 0.00 0.00 +0.023 A ATOM 14 C LIG 1 -3.492 0.499 0.684 0.00 0.00 -0.021 A ATOM 15 C LIG 1 -2.100 0.672 0.543 0.00 0.00 +0.034 A ATOM 16 C LIG 1 -1.203 0.029 1.404 0.00 0.00 +0.074 A ATOM 17 C LIG 1 -5.156 -0.821 2.221 0.00 0.00 +0.029 A ATOM 18 N LIG 1 -1.591 -0.778 2.419 0.00 0.00 -0.229 NA ATOM 19 C LIG 1 -4.907 -1.650 3.295 0.00 0.00 +0.089 A BRANCH 11 20 ATOM 20 C LIG 1 -2.845 -2.475 4.481 0.00 0.00 +0.241 C BRANCH 20 22 ATOM 21 N LIG 1 -2.227 -1.059 6.606 0.00 0.00 -0.195 NA ATOM 22 C LIG 1 -2.496 -1.667 5.653 0.00 0.00 +0.084 C ENDBRANCH 20 22 ENDBRANCH 11 20 BRANCH 14 23 ATOM 23 C LIG 1 -4.448 1.203 -0.250 0.00 0.00 +0.120 C BRANCH 23 24 ATOM 24 N LIG 1 -5.050 0.299 -1.231 0.00 0.00 -0.298 NA ATOM 25 C LIG 1 -4.102 -0.209 -2.224 0.00 0.00 +0.085 C ATOM 26 C LIG 1 -5.005 -0.753 -3.323 0.00 0.00 +0.017 C ATOM 27 C LIG 1 -6.327 -0.013 -3.159 0.00 0.00 +0.017 C ATOM 28 C LIG 1 -6.097 0.958 -2.012 0.00 0.00 +0.085 C ENDBRANCH 23 24 ENDBRANCH 14 23 ENDBRANCH 1 16 BRANCH 5 29 ATOM 29 C LIG 1 5.686 0.598 -1.469 0.00 0.00 +0.163 C ATOM 30 C LIG 1 6.232 -0.838 -1.487 0.00 0.00 +0.240 C ATOM 31 O LIG 1 5.516 -1.837 -1.427 0.00 0.00 -0.273 OA ATOM 32 N LIG 1 7.585 -0.966 -1.703 0.00 0.00 -0.255 N ATOM 33 H LIG 1 7.936 -1.913 -1.751 0.00 0.00 +0.158 HD ATOM 34 C LIG 1 8.490 0.025 -1.990 0.00 0.00 +0.219 C ATOM 35 O LIG 1 9.641 -0.246 -2.321 0.00 0.00 -0.275 OA ATOM 36 C LIG 1 7.971 1.444 -1.972 0.00 0.00 +0.098 C ATOM 37 C LIG 1 6.775 1.582 -1.043 0.00 0.00 +0.041 C ENDBRANCH 5 29 TORSDOF 6