REMARK Name = BDB038630 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.924 -0.693 -0.551 0.00 0.00 +0.129 A ATOM 2 N LIG 1 -2.299 -1.972 -0.731 0.00 0.00 -0.236 NA ATOM 3 C LIG 1 -3.590 -2.283 -0.989 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -4.565 -1.291 -1.033 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -4.213 0.046 -0.836 0.00 0.00 -0.012 A ATOM 6 C LIG 1 -2.858 0.334 -0.624 0.00 0.00 +0.052 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 3.955 -0.221 0.727 0.00 0.00 -0.033 A ATOM 8 C LIG 1 2.949 -1.127 0.358 0.00 0.00 +0.018 A ATOM 9 C LIG 1 1.668 -0.636 0.178 0.00 0.00 +0.042 A ATOM 10 C LIG 1 0.445 -1.361 -0.197 0.00 0.00 +0.253 C ATOM 11 N LIG 1 -0.574 -0.410 -0.259 0.00 0.00 -0.248 N ATOM 12 C LIG 1 -0.096 0.922 0.071 0.00 0.00 +0.151 C ATOM 13 O LIG 1 0.448 -2.562 -0.389 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 1.353 0.708 0.342 0.00 0.00 -0.018 A ATOM 15 C LIG 1 2.330 1.619 0.699 0.00 0.00 +0.006 A ATOM 16 C LIG 1 3.636 1.148 0.887 0.00 0.00 +0.005 A BRANCH 7 17 ATOM 17 C LIG 1 5.374 -0.705 0.919 0.00 0.00 +0.116 C BRANCH 17 18 ATOM 18 N LIG 1 6.021 -0.910 -0.372 0.00 0.00 -0.310 NA ATOM 19 H LIG 1 6.008 -0.042 -0.905 0.00 0.00 +0.122 HD BRANCH 18 20 ATOM 20 C LIG 1 7.383 -1.429 -0.260 0.00 0.00 +0.112 C BRANCH 20 21 ATOM 21 C LIG 1 8.446 -0.505 0.382 0.00 0.00 +0.128 C BRANCH 21 23 ATOM 22 C LIG 1 9.671 1.716 0.251 0.00 0.00 +0.006 C ATOM 23 C LIG 1 8.628 0.808 -0.389 0.00 0.00 +0.029 C ENDBRANCH 21 23 BRANCH 21 24 ATOM 24 O LIG 1 9.701 -1.192 0.409 0.00 0.00 -0.391 OA ATOM 25 H LIG 1 9.582 -2.007 0.927 0.00 0.00 +0.210 HD ENDBRANCH 21 24 ENDBRANCH 20 21 ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 7 17 ENDBRANCH 1 11 BRANCH 5 26 ATOM 26 C LIG 1 -5.235 1.116 -0.830 0.00 0.00 -0.007 A ATOM 27 C LIG 1 -5.366 2.049 0.230 0.00 0.00 +0.028 A ATOM 28 C LIG 1 -6.330 3.071 0.157 0.00 0.00 +0.031 A ATOM 29 C LIG 1 -7.186 3.167 -0.942 0.00 0.00 +0.052 A ATOM 30 C LIG 1 -7.076 2.245 -1.983 0.00 0.00 +0.019 A ATOM 31 C LIG 1 -6.110 1.236 -1.928 0.00 0.00 +0.010 A BRANCH 27 32 ATOM 32 C LIG 1 -4.502 2.021 1.409 0.00 0.00 +0.164 A ATOM 33 N LIG 1 -4.500 1.069 2.399 0.00 0.00 -0.317 N ATOM 34 C LIG 1 -5.369 -0.067 2.548 0.00 0.00 +0.152 C ATOM 35 C LIG 1 -3.491 1.406 3.251 0.00 0.00 +0.225 A ATOM 36 N LIG 1 -2.913 2.506 2.832 0.00 0.00 -0.138 NA ATOM 37 N LIG 1 -3.557 2.901 1.683 0.00 0.00 -0.129 NA ENDBRANCH 27 32 BRANCH 29 38 ATOM 38 C LIG 1 -8.172 4.207 -1.001 0.00 0.00 +0.099 C ATOM 39 N LIG 1 -8.978 5.040 -1.047 0.00 0.00 -0.191 NA ENDBRANCH 29 38 ENDBRANCH 5 26 BRANCH 3 40 ATOM 40 C LIG 1 -3.958 -3.733 -1.197 0.00 0.00 +0.038 C ATOM 41 C LIG 1 -3.026 -4.645 -1.962 0.00 0.00 +0.010 C ATOM 42 C LIG 1 -4.327 -4.226 -2.578 0.00 0.00 +0.010 C ENDBRANCH 3 40 TORSDOF 11