REMARK Name = BDB034230 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.726 -0.822 0.929 0.00 0.00 +0.121 A ATOM 2 C LIG 1 2.050 -1.251 1.065 0.00 0.00 +0.051 A ATOM 3 C LIG 1 3.057 -0.343 0.791 0.00 0.00 -0.015 A ATOM 4 C LIG 1 4.537 -0.520 0.824 0.00 0.00 +0.145 C ATOM 5 N LIG 1 5.032 0.811 0.518 0.00 0.00 -0.279 N ATOM 6 C LIG 1 3.999 1.681 0.184 0.00 0.00 +0.248 C ATOM 7 O LIG 1 4.085 2.821 -0.231 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 2.743 0.960 0.410 0.00 0.00 +0.042 A ATOM 9 C LIG 1 1.443 1.414 0.292 0.00 0.00 +0.017 A ATOM 10 C LIG 1 0.420 0.504 0.570 0.00 0.00 +0.046 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 6.439 1.067 0.166 0.00 0.00 +0.116 C ATOM 12 C LIG 1 6.837 0.681 -1.349 0.00 0.00 +0.243 C ATOM 13 O LIG 1 6.170 0.043 -2.162 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 8.125 1.076 -1.663 0.00 0.00 -0.254 N ATOM 15 H LIG 1 8.489 0.816 -2.568 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 9.029 1.486 -0.701 0.00 0.00 +0.223 C ATOM 17 O LIG 1 10.224 1.589 -0.965 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 8.349 1.734 0.704 0.00 0.00 +0.080 C ATOM 19 C LIG 1 7.486 0.527 1.209 0.00 0.00 +0.048 C ATOM 20 C LIG 1 6.978 2.479 0.613 0.00 0.00 +0.048 C ENDBRANCH 5 11 BRANCH 1 21 ATOM 21 O LIG 1 -0.253 -1.726 1.240 0.00 0.00 -0.487 OA BRANCH 21 23 ATOM 22 C LIG 1 -2.623 -1.871 0.683 0.00 0.00 +0.097 C ATOM 23 C LIG 1 -1.158 -2.005 0.145 0.00 0.00 +0.190 C ATOM 24 C LIG 1 -0.834 -3.423 -0.360 0.00 0.00 +0.046 C ATOM 25 C LIG 1 -1.533 -4.488 0.474 0.00 0.00 +0.004 C ATOM 26 C LIG 1 -3.053 -4.361 0.390 0.00 0.00 +0.002 C ATOM 27 C LIG 1 -3.537 -2.945 0.060 0.00 0.00 +0.022 C BRANCH 22 30 ATOM 28 C LIG 1 -4.973 -0.018 -0.250 0.00 0.00 +0.047 C ATOM 29 C LIG 1 -3.505 -0.031 -0.743 0.00 0.00 +0.094 C ATOM 30 N LIG 1 -3.054 -0.454 0.590 0.00 0.00 -0.295 NA ATOM 31 C LIG 1 -4.381 -0.206 1.169 0.00 0.00 +0.094 C BRANCH 28 35 ATOM 32 C LIG 1 -7.523 3.520 -1.099 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -6.274 3.685 -0.502 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -5.471 2.570 -0.235 0.00 0.00 +0.005 A ATOM 35 C LIG 1 -5.879 1.258 -0.550 0.00 0.00 -0.042 A ATOM 36 C LIG 1 -7.147 1.129 -1.153 0.00 0.00 +0.005 A ATOM 37 C LIG 1 -7.959 2.236 -1.425 0.00 0.00 +0.019 A BRANCH 32 39 ATOM 38 N LIG 1 -9.022 5.576 -1.599 0.00 0.00 -0.191 NA ATOM 39 C LIG 1 -8.350 4.657 -1.375 0.00 0.00 +0.099 C ENDBRANCH 32 39 ENDBRANCH 28 35 ENDBRANCH 22 30 ENDBRANCH 21 23 ENDBRANCH 1 21 TORSDOF 6