REMARK Name = BDB035144 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.573 -1.669 1.061 0.00 0.00 -0.296 NA ATOM 2 C LIG 1 1.514 -1.977 2.043 0.00 0.00 +0.100 C ATOM 3 C LIG 1 0.110 -1.406 1.700 0.00 0.00 +0.100 C ATOM 4 N LIG 1 -0.108 -1.184 0.261 0.00 0.00 -0.292 NA ATOM 5 C LIG 1 0.621 -2.162 -0.556 0.00 0.00 +0.100 C ATOM 6 C LIG 1 2.148 -2.192 -0.258 0.00 0.00 +0.100 C ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -1.502 -0.970 -0.152 0.00 0.00 +0.101 C ATOM 8 C LIG 1 -2.089 0.336 0.457 0.00 0.00 +0.165 C ATOM 9 N LIG 1 -3.528 0.539 0.181 0.00 0.00 -0.277 NA ATOM 10 C LIG 1 -4.247 -0.540 0.157 0.00 0.00 +0.120 C ATOM 11 C LIG 1 -3.747 -1.931 0.293 0.00 0.00 +0.030 C ATOM 12 C LIG 1 -2.434 -2.125 0.115 0.00 0.00 -0.004 C BRANCH 10 13 ATOM 13 C LIG 1 -5.765 -0.376 -0.029 0.00 0.00 +0.262 C ATOM 14 N LIG 1 -6.137 0.946 -0.150 0.00 0.00 -0.307 N ATOM 15 H LIG 1 -5.346 1.588 -0.076 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 -6.499 -1.351 -0.049 0.00 0.00 -0.269 OA BRANCH 14 17 ATOM 17 C LIG 1 -7.502 1.462 -0.288 0.00 0.00 +0.074 C ATOM 18 C LIG 1 -8.388 0.825 -1.393 0.00 0.00 +0.029 C ATOM 19 C LIG 1 -9.510 0.846 -0.386 0.00 0.00 -0.026 C ATOM 20 C LIG 1 -10.603 1.885 -0.521 0.00 0.00 +0.007 C ATOM 21 C LIG 1 -11.555 0.820 0.085 0.00 0.00 +0.001 C ATOM 22 C LIG 1 -10.533 -0.262 -0.356 0.00 0.00 +0.007 C ATOM 23 C LIG 1 -8.537 0.982 0.766 0.00 0.00 +0.029 C ENDBRANCH 14 17 ENDBRANCH 10 13 ENDBRANCH 4 7 BRANCH 1 24 ATOM 24 C LIG 1 2.841 -0.220 1.019 0.00 0.00 +0.121 C BRANCH 24 34 ATOM 25 C LIG 1 9.016 1.329 -0.679 0.00 0.00 +0.077 C ATOM 26 C LIG 1 8.810 1.066 0.818 0.00 0.00 +0.217 C ATOM 27 O LIG 1 9.616 1.425 1.672 0.00 0.00 -0.275 OA ATOM 28 N LIG 1 7.696 0.357 1.180 0.00 0.00 -0.307 N ATOM 29 H LIG 1 7.560 0.237 2.176 0.00 0.00 +0.149 HD ATOM 30 C LIG 1 6.637 0.121 0.235 0.00 0.00 +0.121 C ATOM 31 C LIG 1 6.438 1.394 -0.601 0.00 0.00 +0.130 C ATOM 32 N LIG 1 5.243 1.340 -1.464 0.00 0.00 -0.286 NA ATOM 33 C LIG 1 4.221 0.776 -0.910 0.00 0.00 +0.110 C ATOM 34 C LIG 1 4.181 0.099 0.418 0.00 0.00 -0.018 C ATOM 35 C LIG 1 5.373 -0.234 0.948 0.00 0.00 +0.003 C ATOM 36 C LIG 1 7.695 1.616 -1.445 0.00 0.00 +0.041 C BRANCH 25 38 ATOM 37 C LIG 1 11.203 0.009 -0.805 0.00 0.00 +0.004 C ATOM 38 C LIG 1 9.779 0.159 -1.327 0.00 0.00 +0.009 C ENDBRANCH 25 38 ENDBRANCH 24 34 ENDBRANCH 1 24 TORSDOF 6