REMARK Name = BDB048438 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.610 -0.113 -1.755 0.00 0.00 +0.121 A ATOM 2 C LIG 1 -0.263 0.171 -2.005 0.00 0.00 +0.050 A ATOM 3 C LIG 1 0.681 -0.856 -2.154 0.00 0.00 -0.030 A ATOM 4 C LIG 1 0.253 -2.186 -2.052 0.00 0.00 +0.005 A ATOM 5 C LIG 1 -1.088 -2.476 -1.802 0.00 0.00 +0.004 A ATOM 6 C LIG 1 -2.018 -1.442 -1.654 0.00 0.00 +0.045 A ENDROOT BRANCH 1 7 ATOM 7 O LIG 1 -2.403 0.993 -1.625 0.00 0.00 -0.492 OA BRANCH 7 8 ATOM 8 C LIG 1 -3.802 0.812 -1.389 0.00 0.00 +0.235 C BRANCH 8 9 ATOM 9 C LIG 1 -4.085 0.664 0.105 0.00 0.00 +0.100 C BRANCH 9 12 ATOM 10 C LIG 1 -5.461 -2.028 1.578 0.00 0.00 +0.088 C ATOM 11 C LIG 1 -6.027 -0.806 0.983 0.00 0.00 +0.126 A ATOM 12 C LIG 1 -5.501 0.314 0.376 0.00 0.00 +0.086 A ATOM 13 N LIG 1 -6.523 1.159 0.008 0.00 0.00 -0.214 NA ATOM 14 C LIG 1 -7.620 0.538 0.401 0.00 0.00 +0.228 A ATOM 15 O LIG 1 -7.387 -0.672 1.004 0.00 0.00 -0.440 OA BRANCH 14 16 ATOM 16 C LIG 1 -9.014 0.957 0.277 0.00 0.00 +0.037 A ATOM 17 C LIG 1 -9.317 2.184 -0.334 0.00 0.00 +0.013 A ATOM 18 C LIG 1 -10.640 2.611 -0.467 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -11.680 1.815 0.008 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -11.398 0.594 0.617 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -10.073 0.167 0.751 0.00 0.00 +0.013 A ENDBRANCH 14 16 ENDBRANCH 9 12 ENDBRANCH 8 9 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 3 22 ATOM 22 C LIG 1 2.134 -0.532 -2.426 0.00 0.00 +0.120 C BRANCH 22 23 ATOM 23 N LIG 1 3.052 -1.020 -1.386 0.00 0.00 -0.284 NA BRANCH 23 24 ATOM 24 C LIG 1 4.447 -0.915 -1.842 0.00 0.00 +0.120 C BRANCH 24 25 ATOM 25 C LIG 1 5.451 -1.538 -0.897 0.00 0.00 -0.030 A ATOM 26 C LIG 1 6.464 -0.755 -0.324 0.00 0.00 +0.051 A ATOM 27 C LIG 1 7.368 -1.321 0.580 0.00 0.00 +0.129 A ATOM 28 C LIG 1 7.301 -2.683 0.875 0.00 0.00 +0.046 A ATOM 29 C LIG 1 6.308 -3.474 0.298 0.00 0.00 +0.004 A ATOM 30 C LIG 1 5.385 -2.904 -0.581 0.00 0.00 +0.005 A BRANCH 27 31 ATOM 31 O LIG 1 8.392 -0.613 1.167 0.00 0.00 -0.456 OA BRANCH 31 32 ATOM 32 C LIG 1 8.132 0.672 1.588 0.00 0.00 +0.128 A ATOM 33 C LIG 1 9.098 1.637 1.300 0.00 0.00 +0.046 A ATOM 34 C LIG 1 8.911 2.956 1.717 0.00 0.00 +0.004 A ATOM 35 C LIG 1 7.765 3.305 2.432 0.00 0.00 +0.000 A ATOM 36 C LIG 1 6.810 2.335 2.739 0.00 0.00 +0.004 A ATOM 37 C LIG 1 6.998 1.014 2.328 0.00 0.00 +0.046 A ENDBRANCH 31 32 ENDBRANCH 27 31 ENDBRANCH 24 25 ENDBRANCH 23 24 BRANCH 23 38 ATOM 38 C LIG 1 2.808 -0.434 -0.043 0.00 0.00 +0.206 C BRANCH 38 39 ATOM 39 C LIG 1 3.262 0.998 0.199 0.00 0.00 +0.319 C ATOM 40 O LIG 1 3.568 1.457 1.291 0.00 0.00 -0.250 OA BRANCH 39 41 ATOM 41 O LIG 1 3.252 1.816 -0.870 0.00 0.00 -0.480 OA ATOM 42 H LIG 1 3.537 2.677 -0.498 0.00 0.00 +0.295 HD ENDBRANCH 39 41 ENDBRANCH 38 39 ENDBRANCH 23 38 ENDBRANCH 22 23 ENDBRANCH 3 22 TORSDOF 14