REMARK Name = BDB039481 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.279 -0.591 0.416 0.00 0.00 +0.072 A ATOM 2 N LIG 1 -1.641 0.678 0.128 0.00 0.00 -0.241 NA ATOM 3 C LIG 1 -2.948 0.971 -0.082 0.00 0.00 +0.132 A ATOM 4 C LIG 1 -3.979 0.014 -0.014 0.00 0.00 +0.097 A ATOM 5 N LIG 1 -5.283 0.325 -0.219 0.00 0.00 -0.253 NA ATOM 6 C LIG 1 -5.607 1.605 -0.494 0.00 0.00 +0.115 A ATOM 7 C LIG 1 -4.679 2.615 -0.587 0.00 0.00 +0.067 A ATOM 8 C LIG 1 -3.590 -1.294 0.284 0.00 0.00 -0.004 A ATOM 9 C LIG 1 -3.346 2.273 -0.391 0.00 0.00 +0.150 A ATOM 10 C LIG 1 -2.234 -1.590 0.518 0.00 0.00 +0.035 A ENDROOT BRANCH 1 17 ATOM 11 N LIG 1 4.614 0.172 1.642 0.00 0.00 -0.282 N ATOM 12 C LIG 1 4.354 -1.124 1.217 0.00 0.00 +0.248 C ATOM 13 O LIG 1 5.143 -2.038 1.074 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 2.911 -1.204 0.965 0.00 0.00 +0.042 A ATOM 15 C LIG 1 2.364 0.055 1.176 0.00 0.00 -0.017 A ATOM 16 C LIG 1 1.005 0.263 1.001 0.00 0.00 +0.016 A ATOM 17 C LIG 1 0.173 -0.812 0.611 0.00 0.00 +0.001 A ATOM 18 C LIG 1 0.778 -2.080 0.396 0.00 0.00 +0.011 A ATOM 19 C LIG 1 2.152 -2.286 0.573 0.00 0.00 +0.014 A ATOM 20 C LIG 1 3.433 1.023 1.558 0.00 0.00 +0.144 C BRANCH 11 27 ATOM 21 O LIG 1 8.880 3.611 1.763 0.00 0.00 -0.275 OA ATOM 22 C LIG 1 8.077 2.683 1.774 0.00 0.00 +0.219 C ATOM 23 N LIG 1 7.578 2.164 0.607 0.00 0.00 -0.255 N ATOM 24 H LIG 1 7.857 2.661 -0.230 0.00 0.00 +0.158 HD ATOM 25 C LIG 1 6.420 1.430 0.480 0.00 0.00 +0.240 C ATOM 26 O LIG 1 5.818 1.404 -0.591 0.00 0.00 -0.273 OA ATOM 27 C LIG 1 5.972 0.690 1.752 0.00 0.00 +0.163 C ATOM 28 C LIG 1 6.146 1.615 2.953 0.00 0.00 +0.041 C ATOM 29 C LIG 1 7.604 2.039 3.056 0.00 0.00 +0.098 C ENDBRANCH 11 27 ENDBRANCH 1 17 BRANCH 8 30 ATOM 30 C LIG 1 -4.619 -2.400 0.414 0.00 0.00 +0.121 C BRANCH 30 31 ATOM 31 N LIG 1 -4.229 -3.630 -0.294 0.00 0.00 -0.298 NA ATOM 32 C LIG 1 -5.136 -4.740 0.012 0.00 0.00 +0.085 C ATOM 33 C LIG 1 -4.813 -5.754 -1.074 0.00 0.00 +0.017 C ATOM 34 C LIG 1 -4.278 -4.929 -2.240 0.00 0.00 +0.017 C ATOM 35 C LIG 1 -4.302 -3.488 -1.752 0.00 0.00 +0.085 C ENDBRANCH 30 31 ENDBRANCH 8 30 BRANCH 9 36 ATOM 36 O LIG 1 -2.403 3.280 -0.439 0.00 0.00 -0.487 OA BRANCH 36 37 ATOM 37 C LIG 1 -2.030 3.709 -1.773 0.00 0.00 +0.174 C ATOM 38 C LIG 1 -0.878 4.746 -1.810 0.00 0.00 +0.045 C ATOM 39 C LIG 1 0.091 3.571 -2.032 0.00 0.00 +0.007 C ATOM 40 C LIG 1 -1.102 2.782 -2.600 0.00 0.00 +0.045 C ENDBRANCH 36 37 ENDBRANCH 9 36 TORSDOF 6