REMARK Name = BDB038748 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.606 -1.593 -0.132 0.00 0.00 -0.033 A ATOM 2 C LIG 1 2.612 -0.956 -0.890 0.00 0.00 +0.018 A ATOM 3 C LIG 1 1.294 -1.147 -0.523 0.00 0.00 +0.042 A ATOM 4 C LIG 1 0.080 -0.574 -1.120 0.00 0.00 +0.253 C ATOM 5 N LIG 1 -0.997 -1.075 -0.387 0.00 0.00 -0.248 N ATOM 6 C LIG 1 -0.561 -1.956 0.680 0.00 0.00 +0.151 C ATOM 7 O LIG 1 0.139 0.194 -2.062 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 0.923 -1.955 0.545 0.00 0.00 -0.018 A ATOM 9 C LIG 1 1.885 -2.604 1.298 0.00 0.00 +0.006 A ATOM 10 C LIG 1 3.230 -2.418 0.955 0.00 0.00 +0.005 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 -2.353 -0.786 -0.653 0.00 0.00 +0.129 A ATOM 12 N LIG 1 -2.649 0.008 -1.696 0.00 0.00 -0.236 NA ATOM 13 C LIG 1 -3.933 0.303 -2.012 0.00 0.00 +0.047 A ATOM 14 C LIG 1 -4.972 -0.208 -1.240 0.00 0.00 +0.032 A ATOM 15 C LIG 1 -4.701 -1.002 -0.122 0.00 0.00 -0.012 A ATOM 16 C LIG 1 -3.361 -1.302 0.154 0.00 0.00 +0.052 A BRANCH 15 17 ATOM 17 C LIG 1 -5.788 -1.499 0.749 0.00 0.00 -0.007 A ATOM 18 C LIG 1 -6.752 -0.650 1.349 0.00 0.00 +0.028 A ATOM 19 C LIG 1 -7.785 -1.203 2.130 0.00 0.00 +0.031 A ATOM 20 C LIG 1 -7.864 -2.580 2.348 0.00 0.00 +0.052 A ATOM 21 C LIG 1 -6.912 -3.421 1.774 0.00 0.00 +0.019 A ATOM 22 C LIG 1 -5.891 -2.887 0.982 0.00 0.00 +0.010 A BRANCH 18 23 ATOM 23 C LIG 1 -6.764 0.801 1.163 0.00 0.00 +0.164 A ATOM 24 N LIG 1 -5.811 1.699 1.577 0.00 0.00 -0.317 N ATOM 25 C LIG 1 -4.613 1.456 2.333 0.00 0.00 +0.152 C ATOM 26 C LIG 1 -6.233 2.926 1.161 0.00 0.00 +0.225 A ATOM 27 N LIG 1 -7.389 2.808 0.554 0.00 0.00 -0.138 NA ATOM 28 N LIG 1 -7.731 1.478 0.569 0.00 0.00 -0.129 NA ENDBRANCH 18 23 BRANCH 20 29 ATOM 29 C LIG 1 -8.916 -3.126 3.154 0.00 0.00 +0.099 C ATOM 30 N LIG 1 -9.755 -3.576 3.817 0.00 0.00 -0.191 NA ENDBRANCH 20 29 ENDBRANCH 15 17 BRANCH 13 31 ATOM 31 C LIG 1 -4.149 1.210 -3.207 0.00 0.00 +0.038 C ATOM 32 C LIG 1 -5.339 1.065 -4.124 0.00 0.00 +0.010 C ATOM 33 C LIG 1 -5.237 2.258 -3.217 0.00 0.00 +0.010 C ENDBRANCH 13 31 ENDBRANCH 5 11 BRANCH 1 34 ATOM 34 C LIG 1 5.068 -1.403 -0.485 0.00 0.00 +0.120 C BRANCH 34 35 ATOM 35 N LIG 1 5.486 0.005 -0.448 0.00 0.00 -0.289 NA BRANCH 35 36 ATOM 36 C LIG 1 5.522 0.532 0.936 0.00 0.00 +0.181 C BRANCH 36 39 ATOM 37 C LIG 1 5.355 4.349 0.502 0.00 0.00 +0.131 C ATOM 38 N LIG 1 4.935 2.963 0.614 0.00 0.00 -0.307 N ATOM 39 C LIG 1 5.895 2.022 0.984 0.00 0.00 +0.229 C ATOM 40 O LIG 1 7.032 2.349 1.343 0.00 0.00 -0.274 OA ATOM 41 C LIG 1 3.711 2.610 -0.091 0.00 0.00 +0.131 C ENDBRANCH 36 39 ENDBRANCH 35 36 BRANCH 35 42 ATOM 42 C LIG 1 6.727 0.245 -1.214 0.00 0.00 +0.093 C BRANCH 42 43 ATOM 43 C LIG 1 7.989 -0.396 -0.652 0.00 0.00 +0.054 C ATOM 44 C LIG 1 8.294 -1.851 -1.031 0.00 0.00 +0.166 C ATOM 45 O LIG 1 9.598 -1.491 -1.541 0.00 0.00 -0.379 OA ATOM 46 C LIG 1 9.259 -0.086 -1.459 0.00 0.00 +0.166 C ENDBRANCH 42 43 ENDBRANCH 35 42 ENDBRANCH 34 35 ENDBRANCH 1 34 TORSDOF 11