REMARK Name = BDB039507 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.115 0.246 -0.374 0.00 0.00 +0.074 A ATOM 2 N LIG 1 -0.210 -0.570 -1.451 0.00 0.00 -0.229 NA ATOM 3 C LIG 1 -1.383 -0.493 -2.107 0.00 0.00 +0.142 A ATOM 4 C LIG 1 -2.458 0.340 -1.813 0.00 0.00 +0.023 A ATOM 5 C LIG 1 -3.458 0.088 -2.797 0.00 0.00 +0.029 A ATOM 6 C LIG 1 -2.969 -0.868 -3.663 0.00 0.00 +0.089 A ATOM 7 C LIG 1 -2.342 1.201 -0.702 0.00 0.00 -0.021 A ATOM 8 N LIG 1 -1.735 -1.244 -3.201 0.00 0.00 -0.324 N ATOM 9 C LIG 1 -1.132 1.126 0.014 0.00 0.00 +0.034 A ENDROOT BRANCH 1 16 ATOM 10 N LIG 1 5.733 -0.413 1.096 0.00 0.00 -0.282 N ATOM 11 C LIG 1 4.957 -0.158 2.216 0.00 0.00 +0.248 C ATOM 12 O LIG 1 5.328 -0.014 3.365 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 3.571 -0.039 1.753 0.00 0.00 +0.042 A ATOM 14 C LIG 1 3.563 -0.171 0.369 0.00 0.00 -0.017 A ATOM 15 C LIG 1 2.372 -0.082 -0.333 0.00 0.00 +0.016 A ATOM 16 C LIG 1 1.165 0.149 0.365 0.00 0.00 +0.001 A ATOM 17 C LIG 1 1.218 0.269 1.780 0.00 0.00 +0.011 A ATOM 18 C LIG 1 2.424 0.181 2.485 0.00 0.00 +0.014 A ATOM 19 C LIG 1 4.950 -0.404 -0.135 0.00 0.00 +0.144 C BRANCH 10 26 ATOM 20 O LIG 1 11.015 0.352 -0.255 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 9.901 0.123 0.206 0.00 0.00 +0.219 C ATOM 22 N LIG 1 9.216 -1.015 -0.134 0.00 0.00 -0.255 N ATOM 23 H LIG 1 9.665 -1.599 -0.826 0.00 0.00 +0.158 HD ATOM 24 C LIG 1 7.884 -1.283 0.090 0.00 0.00 +0.240 C ATOM 25 O LIG 1 7.336 -2.205 -0.510 0.00 0.00 -0.273 OA ATOM 26 C LIG 1 7.192 -0.395 1.137 0.00 0.00 +0.163 C ATOM 27 C LIG 1 7.720 1.036 1.015 0.00 0.00 +0.041 C ATOM 28 C LIG 1 9.229 1.045 1.194 0.00 0.00 +0.098 C ENDBRANCH 10 26 ENDBRANCH 1 16 BRANCH 8 29 ATOM 29 C LIG 1 -0.840 -2.198 -3.871 0.00 0.00 +0.140 C ATOM 30 C LIG 1 -1.535 -3.442 -4.437 0.00 0.00 +0.187 C ATOM 31 O LIG 1 -0.552 -4.305 -3.806 0.00 0.00 -0.376 OA ATOM 32 C LIG 1 -0.174 -3.209 -2.926 0.00 0.00 +0.187 C ENDBRANCH 8 29 BRANCH 7 33 ATOM 33 C LIG 1 -3.422 2.171 -0.278 0.00 0.00 +0.120 C BRANCH 33 34 ATOM 34 N LIG 1 -4.648 1.506 0.196 0.00 0.00 -0.298 NA ATOM 35 C LIG 1 -5.740 2.484 0.304 0.00 0.00 +0.085 C ATOM 36 C LIG 1 -7.049 1.811 0.716 0.00 0.00 +0.021 C ATOM 37 C LIG 1 -6.893 1.053 2.037 0.00 0.00 +0.017 C ATOM 38 C LIG 1 -5.698 0.096 1.944 0.00 0.00 +0.021 C ATOM 39 C LIG 1 -4.434 0.823 1.482 0.00 0.00 +0.085 C BRANCH 37 40 ATOM 40 C LIG 1 -8.181 0.310 2.395 0.00 0.00 +0.159 C BRANCH 40 41 ATOM 41 O LIG 1 -8.054 -0.270 3.687 0.00 0.00 -0.395 OA ATOM 42 H LIG 1 -8.878 -0.756 3.863 0.00 0.00 +0.209 HD ENDBRANCH 40 41 ENDBRANCH 37 40 ENDBRANCH 33 34 ENDBRANCH 7 33 TORSDOF 7