REMARK Name = BDB038725 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.555 -0.775 -0.612 0.00 0.00 +0.129 A ATOM 2 N LIG 1 -1.656 -2.109 -0.473 0.00 0.00 -0.236 NA ATOM 3 C LIG 1 -2.854 -2.705 -0.259 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -4.007 -1.931 -0.172 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -3.937 -0.539 -0.276 0.00 0.00 -0.012 A ATOM 6 C LIG 1 -2.682 0.034 -0.515 0.00 0.00 +0.052 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 4.165 0.898 -1.607 0.00 0.00 -0.030 A ATOM 8 C LIG 1 3.328 -0.206 -1.372 0.00 0.00 +0.018 A ATOM 9 C LIG 1 1.975 0.024 -1.202 0.00 0.00 +0.042 A ATOM 10 C LIG 1 0.902 -0.947 -0.945 0.00 0.00 +0.253 C ATOM 11 N LIG 1 -0.282 -0.214 -0.846 0.00 0.00 -0.248 N ATOM 12 C LIG 1 -0.053 1.207 -1.028 0.00 0.00 +0.151 C ATOM 13 O LIG 1 1.134 -2.138 -0.857 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 1.417 1.296 -1.249 0.00 0.00 -0.018 A ATOM 15 C LIG 1 2.218 2.401 -1.469 0.00 0.00 +0.006 A ATOM 16 C LIG 1 3.593 2.196 -1.643 0.00 0.00 +0.005 A BRANCH 7 18 ATOM 17 C LIG 1 5.999 -0.303 -2.868 0.00 0.00 +0.029 C ATOM 18 C LIG 1 5.670 0.735 -1.786 0.00 0.00 +0.081 C BRANCH 18 19 ATOM 19 N LIG 1 6.268 0.389 -0.490 0.00 0.00 -0.309 NA ATOM 20 H LIG 1 6.119 -0.605 -0.317 0.00 0.00 +0.123 HD BRANCH 19 21 ATOM 21 C LIG 1 7.693 0.701 -0.379 0.00 0.00 +0.089 C BRANCH 21 22 ATOM 22 C LIG 1 7.910 2.169 -0.047 0.00 0.00 +0.054 C ATOM 23 C LIG 1 7.519 2.618 1.367 0.00 0.00 +0.166 C ATOM 24 O LIG 1 8.841 3.165 1.600 0.00 0.00 -0.379 OA ATOM 25 C LIG 1 9.332 2.539 0.390 0.00 0.00 +0.166 C ENDBRANCH 21 22 ENDBRANCH 19 21 ENDBRANCH 18 19 ENDBRANCH 7 18 ENDBRANCH 1 11 BRANCH 5 26 ATOM 26 C LIG 1 -5.144 0.302 -0.130 0.00 0.00 -0.007 A ATOM 27 C LIG 1 -6.001 0.240 0.997 0.00 0.00 +0.028 A ATOM 28 C LIG 1 -7.165 1.032 1.038 0.00 0.00 +0.031 A ATOM 29 C LIG 1 -7.478 1.904 -0.006 0.00 0.00 +0.052 A ATOM 30 C LIG 1 -6.630 1.988 -1.109 0.00 0.00 +0.019 A ATOM 31 C LIG 1 -5.482 1.192 -1.171 0.00 0.00 +0.010 A BRANCH 27 32 ATOM 32 C LIG 1 -5.764 -0.651 2.134 0.00 0.00 +0.164 A ATOM 33 N LIG 1 -4.706 -0.615 3.009 0.00 0.00 -0.317 N ATOM 34 C LIG 1 -3.619 0.324 3.070 0.00 0.00 +0.152 C ATOM 35 C LIG 1 -4.897 -1.641 3.885 0.00 0.00 +0.225 A ATOM 36 N LIG 1 -6.012 -2.265 3.592 0.00 0.00 -0.138 NA ATOM 37 N LIG 1 -6.565 -1.636 2.503 0.00 0.00 -0.129 NA ENDBRANCH 27 32 BRANCH 29 38 ATOM 38 C LIG 1 -8.664 2.709 0.052 0.00 0.00 +0.099 C ATOM 39 N LIG 1 -9.613 3.374 0.090 0.00 0.00 -0.191 NA ENDBRANCH 29 38 ENDBRANCH 5 26 BRANCH 3 40 ATOM 40 C LIG 1 -2.846 -4.212 -0.105 0.00 0.00 +0.038 C ATOM 41 C LIG 1 -3.980 -5.078 -0.598 0.00 0.00 +0.010 C ATOM 42 C LIG 1 -3.755 -4.911 0.879 0.00 0.00 +0.010 C ENDBRANCH 3 40 TORSDOF 9