REMARK Name = BDB064459 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.052 -0.452 0.174 0.00 0.00 +0.279 C ATOM 2 C LIG 1 -0.597 -0.194 -1.289 0.00 0.00 +0.260 C ATOM 3 O LIG 1 0.514 0.241 -1.607 0.00 0.00 -0.271 OA ATOM 4 N LIG 1 -1.487 -0.521 -2.286 0.00 0.00 -0.282 N ATOM 5 H LIG 1 -1.058 -0.570 -3.201 0.00 0.00 +0.155 HD ATOM 6 C LIG 1 -2.808 -0.963 -2.118 0.00 0.00 +0.043 A ATOM 7 C LIG 1 -3.624 -0.621 -1.027 0.00 0.00 +0.022 A ATOM 8 C LIG 1 -4.901 -1.196 -0.910 0.00 0.00 +0.012 A ATOM 9 C LIG 1 -5.385 -2.052 -1.899 0.00 0.00 +0.001 A ATOM 10 C LIG 1 -4.604 -2.331 -3.016 0.00 0.00 +0.002 A ATOM 11 C LIG 1 -3.230 0.429 -0.035 0.00 0.00 +0.077 C ATOM 12 C LIG 1 -3.324 -1.784 -3.128 0.00 0.00 +0.024 A ATOM 13 N LIG 1 -2.068 0.528 0.520 0.00 0.00 -0.251 NA ENDROOT BRANCH 11 14 ATOM 14 C LIG 1 -4.243 1.467 0.343 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -4.298 1.909 1.670 0.00 0.00 +0.010 A ATOM 16 C LIG 1 -5.229 2.878 2.046 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -6.098 3.416 1.096 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -6.034 2.991 -0.231 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -5.104 2.022 -0.612 0.00 0.00 +0.010 A ENDBRANCH 11 14 BRANCH 1 22 ATOM 20 O LIG 1 0.774 -2.412 1.114 0.00 0.00 -0.270 OA ATOM 21 C LIG 1 0.890 -1.240 1.444 0.00 0.00 +0.246 C ATOM 22 N LIG 1 0.029 -0.234 1.094 0.00 0.00 -0.282 N ATOM 23 H LIG 1 0.221 0.727 1.335 0.00 0.00 +0.151 HD BRANCH 21 24 ATOM 24 C LIG 1 2.009 -0.811 2.309 0.00 0.00 +0.041 A ATOM 25 C LIG 1 3.072 -0.034 1.815 0.00 0.00 -0.021 A ATOM 26 C LIG 1 4.040 0.410 2.733 0.00 0.00 +0.005 A ATOM 27 C LIG 1 3.979 0.041 4.079 0.00 0.00 +0.000 A ATOM 28 C LIG 1 2.943 -0.769 4.539 0.00 0.00 +0.001 A ATOM 29 C LIG 1 1.954 -1.195 3.655 0.00 0.00 +0.013 A BRANCH 25 30 ATOM 30 C LIG 1 3.151 0.361 0.352 0.00 0.00 +0.120 C BRANCH 30 31 ATOM 31 N LIG 1 4.523 0.408 -0.197 0.00 0.00 -0.294 NA ATOM 32 C LIG 1 5.111 -0.955 -0.258 0.00 0.00 +0.113 C ATOM 33 C LIG 1 6.172 -1.079 -1.362 0.00 0.00 +0.175 C ATOM 34 O LIG 1 5.631 -0.882 -2.677 0.00 0.00 -0.377 OA ATOM 35 C LIG 1 4.491 -0.011 -2.687 0.00 0.00 +0.175 C ATOM 36 C LIG 1 4.518 1.019 -1.548 0.00 0.00 +0.113 C ENDBRANCH 30 31 ENDBRANCH 25 30 ENDBRANCH 21 24 ENDBRANCH 1 22 TORSDOF 5