REMARK Name = BDB006476 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.255 -4.866 -1.944 0.00 0.00 +0.046 C ATOM 2 C LIG 1 -3.969 -3.407 -2.041 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -2.685 -2.786 -1.941 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -2.866 -1.408 -2.083 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -1.786 -0.509 -2.020 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -0.499 -1.024 -1.827 0.00 0.00 +0.015 A ATOM 7 C LIG 1 -0.293 -2.399 -1.701 0.00 0.00 +0.037 A ATOM 8 N LIG 1 -4.223 -1.195 -2.259 0.00 0.00 -0.339 N ATOM 9 C LIG 1 -1.380 -3.283 -1.739 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -4.900 -2.400 -2.255 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -6.377 -2.504 -2.434 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 1.065 -2.969 -1.495 0.00 0.00 +0.244 C ATOM 13 N LIG 1 2.098 -2.322 -2.142 0.00 0.00 -0.308 N ATOM 14 H LIG 1 1.889 -1.553 -2.765 0.00 0.00 +0.149 HD ATOM 15 O LIG 1 1.215 -3.970 -0.805 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 3.484 -2.766 -2.024 0.00 0.00 +0.073 C ATOM 17 C LIG 1 4.262 -2.346 -3.273 0.00 0.00 +0.028 C BRANCH 16 18 ATOM 18 C LIG 1 4.109 -2.288 -0.686 0.00 0.00 +0.012 C ATOM 19 C LIG 1 4.115 -0.755 -0.533 0.00 0.00 +0.024 C ATOM 20 C LIG 1 5.004 -0.313 0.625 0.00 0.00 +0.109 C ATOM 21 N LIG 1 6.383 -0.786 0.492 0.00 0.00 -0.286 N ATOM 22 C LIG 1 7.439 -0.389 1.300 0.00 0.00 +0.302 C ATOM 23 N LIG 1 7.123 0.527 2.269 0.00 0.00 -0.295 N ATOM 24 H LIG 1 6.343 1.133 2.092 0.00 0.00 +0.151 HD ATOM 25 O LIG 1 8.574 -0.846 1.184 0.00 0.00 -0.253 OA ATOM 26 C LIG 1 6.621 -1.851 -0.480 0.00 0.00 +0.109 C ATOM 27 C LIG 1 5.508 -2.894 -0.441 0.00 0.00 +0.024 C BRANCH 23 28 ATOM 28 C LIG 1 8.141 1.079 3.137 0.00 0.00 +0.141 C BRANCH 28 29 ATOM 29 C LIG 1 8.588 2.434 2.650 0.00 0.00 -0.030 A ATOM 30 C LIG 1 9.504 2.537 1.593 0.00 0.00 +0.005 A ATOM 31 C LIG 1 9.907 3.788 1.124 0.00 0.00 +0.000 A ATOM 32 C LIG 1 9.396 4.948 1.703 0.00 0.00 +0.000 A ATOM 33 C LIG 1 8.480 4.858 2.749 0.00 0.00 +0.000 A ATOM 34 C LIG 1 8.074 3.607 3.220 0.00 0.00 +0.005 A ENDBRANCH 28 29 ENDBRANCH 23 28 ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 35 ATOM 35 C LIG 1 -4.839 0.118 -2.462 0.00 0.00 +0.157 C BRANCH 35 36 ATOM 36 C LIG 1 -5.594 0.622 -1.253 0.00 0.00 -0.028 A ATOM 37 C LIG 1 -6.818 1.281 -1.431 0.00 0.00 +0.006 A ATOM 38 C LIG 1 -7.527 1.785 -0.336 0.00 0.00 +0.009 A ATOM 39 C LIG 1 -7.027 1.659 0.968 0.00 0.00 -0.017 A ATOM 40 C LIG 1 -5.797 1.007 1.142 0.00 0.00 +0.009 A ATOM 41 C LIG 1 -5.085 0.505 0.048 0.00 0.00 +0.006 A BRANCH 39 42 ATOM 42 C LIG 1 -7.768 2.195 2.122 0.00 0.00 -0.004 A ATOM 43 C LIG 1 -8.111 3.557 2.262 0.00 0.00 +0.067 A ATOM 44 C LIG 1 -8.871 4.001 3.356 0.00 0.00 +0.015 A ATOM 45 C LIG 1 -9.276 3.103 4.341 0.00 0.00 +0.001 A ATOM 46 C LIG 1 -8.931 1.759 4.232 0.00 0.00 +0.001 A ATOM 47 C LIG 1 -8.189 1.311 3.135 0.00 0.00 +0.009 A BRANCH 43 48 ATOM 48 C LIG 1 -7.714 4.596 1.284 0.00 0.00 +0.337 C ATOM 49 O LIG 1 -8.509 5.378 0.794 0.00 0.00 -0.245 OA BRANCH 48 50 ATOM 50 O LIG 1 -6.384 4.644 1.063 0.00 0.00 -0.477 OA ATOM 51 H LIG 1 -5.874 3.955 1.530 0.00 0.00 +0.295 HD ENDBRANCH 48 50 ENDBRANCH 43 48 ENDBRANCH 39 42 ENDBRANCH 35 36 ENDBRANCH 8 35 TORSDOF 10