REMARK Name = BDB020552 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.524 5.045 -1.261 0.00 0.00 +0.132 C ATOM 2 N LIG 1 -3.454 3.604 -1.096 0.00 0.00 -0.297 N ATOM 3 C LIG 1 -4.481 2.836 -1.636 0.00 0.00 +0.235 C ATOM 4 O LIG 1 -5.466 3.340 -2.182 0.00 0.00 -0.274 OA ATOM 5 C LIG 1 -4.380 1.325 -1.529 0.00 0.00 +0.219 C ATOM 6 N LIG 1 -3.298 0.880 -0.679 0.00 0.00 -0.320 N ATOM 7 C LIG 1 -2.238 1.679 -0.348 0.00 0.00 +0.064 A ATOM 8 C LIG 1 -1.440 0.890 0.449 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -1.977 -0.367 0.570 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -3.105 -0.356 -0.116 0.00 0.00 +0.114 A ATOM 11 C LIG 1 -2.125 3.045 -0.887 0.00 0.00 +0.163 C ENDROOT BRANCH 8 12 ATOM 12 C LIG 1 -0.176 1.272 1.048 0.00 0.00 +0.011 A ATOM 13 C LIG 1 1.035 0.607 0.714 0.00 0.00 +0.009 A ATOM 14 C LIG 1 2.238 1.030 1.315 0.00 0.00 -0.014 A ATOM 15 C LIG 1 3.441 0.390 0.981 0.00 0.00 +0.032 A ATOM 16 C LIG 1 3.441 -0.653 0.058 0.00 0.00 +0.045 A ATOM 17 N LIG 1 2.304 -1.076 -0.535 0.00 0.00 -0.259 NA ATOM 18 C LIG 1 2.219 2.087 2.240 0.00 0.00 +0.008 A ATOM 19 C LIG 1 1.026 2.724 2.576 0.00 0.00 +0.001 A ATOM 20 C LIG 1 1.147 -0.456 -0.194 0.00 0.00 +0.120 A ATOM 21 C LIG 1 -0.167 2.318 1.984 0.00 0.00 +0.011 A BRANCH 16 22 ATOM 22 C LIG 1 4.709 -1.382 -0.337 0.00 0.00 +0.042 C ATOM 23 C LIG 1 5.680 -0.468 -1.098 0.00 0.00 +0.038 C ATOM 24 C LIG 1 7.066 -1.091 -1.101 0.00 0.00 +0.160 C ATOM 25 O LIG 1 7.615 -1.232 0.209 0.00 0.00 -0.380 OA ATOM 26 C LIG 1 6.667 -1.369 1.266 0.00 0.00 +0.160 C ATOM 27 C LIG 1 5.396 -2.091 0.843 0.00 0.00 +0.038 C ENDBRANCH 16 22 ENDBRANCH 8 12 BRANCH 10 28 ATOM 28 C LIG 1 -4.024 -1.534 -0.298 0.00 0.00 +0.059 C ATOM 29 C LIG 1 -4.056 -2.421 0.959 0.00 0.00 +0.039 C ATOM 30 C LIG 1 -3.096 -3.592 0.810 0.00 0.00 +0.160 C ATOM 31 O LIG 1 -3.459 -4.447 -0.277 0.00 0.00 -0.380 OA ATOM 32 C LIG 1 -4.035 -3.790 -1.405 0.00 0.00 +0.160 C ATOM 33 C LIG 1 -3.602 -2.339 -1.538 0.00 0.00 +0.039 C ENDBRANCH 10 28 TORSDOF 3