REMARK Name = BDB016753 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.695 2.184 -0.275 0.00 0.00 -0.041 A ATOM 2 C LIG 1 1.976 3.109 -1.056 0.00 0.00 +0.031 A ATOM 3 C LIG 1 0.588 2.957 -1.169 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -0.121 1.945 -0.537 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -1.483 2.154 -0.917 0.00 0.00 +0.093 A ATOM 6 N LIG 1 -1.603 3.218 -1.726 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 0.588 1.030 0.263 0.00 0.00 +0.012 A ATOM 8 N LIG 1 -0.351 3.681 -1.849 0.00 0.00 -0.276 N ATOM 9 H LIG 1 -0.200 4.503 -2.422 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 1.979 1.170 0.384 0.00 0.00 +0.005 A ENDROOT BRANCH 1 18 ATOM 11 N LIG 1 6.566 -0.516 0.021 0.00 0.00 -0.268 N ATOM 12 C LIG 1 5.634 -1.060 -0.886 0.00 0.00 +0.041 A ATOM 13 C LIG 1 4.761 -0.042 -1.312 0.00 0.00 -0.010 A ATOM 14 C LIG 1 3.772 -0.341 -2.241 0.00 0.00 +0.006 A ATOM 15 C LIG 1 3.656 -1.653 -2.710 0.00 0.00 +0.000 A ATOM 16 C LIG 1 4.527 -2.657 -2.259 0.00 0.00 +0.002 A ATOM 17 C LIG 1 5.147 1.228 -0.608 0.00 0.00 +0.081 C ATOM 18 C LIG 1 4.193 2.297 -0.111 0.00 0.00 +0.040 C ATOM 19 C LIG 1 5.092 2.559 -1.302 0.00 0.00 +0.031 C ATOM 20 C LIG 1 5.532 -2.365 -1.337 0.00 0.00 +0.024 A ATOM 21 C LIG 1 6.327 0.835 0.249 0.00 0.00 +0.231 C ATOM 22 O LIG 1 6.919 1.591 1.002 0.00 0.00 -0.274 OA BRANCH 11 23 ATOM 23 C LIG 1 7.582 -1.270 0.718 0.00 0.00 +0.141 C BRANCH 23 24 ATOM 24 C LIG 1 7.079 -1.831 2.050 0.00 0.00 +0.178 C BRANCH 24 26 ATOM 25 C LIG 1 9.038 -1.927 3.391 0.00 0.00 +0.194 C ATOM 26 O LIG 1 8.055 -2.666 2.677 0.00 0.00 -0.381 OA ENDBRANCH 24 26 ENDBRANCH 23 24 ENDBRANCH 11 23 ENDBRANCH 1 18 BRANCH 5 27 ATOM 27 C LIG 1 -2.584 1.336 -0.494 0.00 0.00 +0.031 C ATOM 28 C LIG 1 -3.862 1.519 -0.868 0.00 0.00 +0.010 C BRANCH 28 29 ATOM 29 C LIG 1 -4.976 0.666 -0.434 0.00 0.00 -0.025 A ATOM 30 C LIG 1 -5.105 0.222 0.887 0.00 0.00 +0.008 A ATOM 31 C LIG 1 -6.194 -0.567 1.271 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -7.184 -0.915 0.343 0.00 0.00 -0.033 A ATOM 33 C LIG 1 -7.059 -0.460 -0.977 0.00 0.00 +0.005 A ATOM 34 C LIG 1 -5.971 0.330 -1.359 0.00 0.00 +0.008 A BRANCH 32 35 ATOM 35 C LIG 1 -8.357 -1.782 0.751 0.00 0.00 +0.119 C BRANCH 35 36 ATOM 36 N LIG 1 -9.669 -1.166 0.481 0.00 0.00 -0.304 NA ATOM 37 C LIG 1 -10.733 -2.153 0.669 0.00 0.00 +0.104 C ATOM 38 C LIG 1 -9.905 -0.009 1.347 0.00 0.00 +0.104 C ENDBRANCH 35 36 ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 5 27 TORSDOF 8