REMARK Name = BDB031886 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.080 -1.843 1.567 0.00 0.00 -0.041 A ATOM 2 C LIG 1 3.198 -2.004 2.653 0.00 0.00 +0.031 A ATOM 3 C LIG 1 1.828 -1.810 2.441 0.00 0.00 +0.068 A ATOM 4 C LIG 1 1.290 -1.462 1.210 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -0.118 -1.349 1.435 0.00 0.00 +0.152 A ATOM 6 N LIG 1 -0.425 -1.637 2.705 0.00 0.00 -0.158 NA ATOM 7 C LIG 1 2.163 -1.314 0.116 0.00 0.00 +0.014 A ATOM 8 N LIG 1 0.756 -1.898 3.282 0.00 0.00 -0.275 N ATOM 9 H LIG 1 0.763 -2.135 4.268 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 3.537 -1.521 0.311 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 5.380 2.543 0.479 0.00 0.00 +0.120 A ATOM 12 C LIG 1 5.343 1.313 1.153 0.00 0.00 +0.052 A ATOM 13 C LIG 1 6.339 0.376 0.920 0.00 0.00 -0.007 A ATOM 14 C LIG 1 6.604 -1.007 1.443 0.00 0.00 +0.081 C ATOM 15 C LIG 1 5.564 -2.068 1.740 0.00 0.00 +0.040 C ATOM 16 C LIG 1 7.900 -1.408 0.772 0.00 0.00 +0.228 C ATOM 17 N LIG 1 8.279 -0.359 -0.041 0.00 0.00 -0.284 N ATOM 18 H LIG 1 9.116 -0.382 -0.602 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 8.479 -2.469 0.928 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 6.314 -1.384 2.868 0.00 0.00 +0.031 C ATOM 21 C LIG 1 7.373 0.700 0.030 0.00 0.00 +0.038 A ATOM 22 C LIG 1 7.444 1.899 -0.646 0.00 0.00 +0.027 A ATOM 23 C LIG 1 6.426 2.829 -0.417 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 4.307 4.640 0.122 0.00 0.00 +0.277 C ATOM 25 O LIG 1 4.337 3.380 0.780 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -0.968 -0.969 0.451 0.00 0.00 -0.293 N ATOM 27 H LIG 1 -0.566 -0.605 -0.412 0.00 0.00 +0.154 HD BRANCH 26 28 ATOM 28 C LIG 1 -2.374 -0.845 0.425 0.00 0.00 +0.095 A ATOM 29 C LIG 1 -2.992 -0.128 -0.618 0.00 0.00 +0.237 A ATOM 30 N LIG 1 -4.323 0.080 -0.741 0.00 0.00 -0.207 NA ATOM 31 C LIG 1 -5.100 -0.478 0.228 0.00 0.00 +0.131 A ATOM 32 C LIG 1 -4.604 -1.208 1.298 0.00 0.00 +0.035 A ATOM 33 C LIG 1 -3.223 -1.383 1.396 0.00 0.00 +0.031 A BRANCH 31 34 ATOM 34 C LIG 1 -6.575 -0.267 0.090 0.00 0.00 +0.276 C ATOM 35 N LIG 1 -6.923 0.590 -0.943 0.00 0.00 -0.245 N ATOM 36 H LIG 1 -6.170 1.083 -1.420 0.00 0.00 +0.169 HD ATOM 37 O LIG 1 -7.387 -0.809 0.833 0.00 0.00 -0.267 OA BRANCH 35 38 ATOM 38 N LIG 1 -8.262 1.007 -1.096 0.00 0.00 -0.238 NA ATOM 39 H LIG 1 -8.798 0.562 -0.337 0.00 0.00 +0.145 HD BRANCH 38 40 ATOM 40 C LIG 1 -8.845 0.580 -2.379 0.00 0.00 +0.067 C ATOM 41 C LIG 1 -8.120 1.209 -3.569 0.00 0.00 +0.025 C ATOM 42 C LIG 1 -8.921 -0.939 -2.518 0.00 0.00 +0.025 C ENDBRANCH 38 40 ENDBRANCH 35 38 ENDBRANCH 31 34 BRANCH 29 43 ATOM 43 O LIG 1 -2.137 0.385 -1.586 0.00 0.00 -0.478 OA ATOM 44 C LIG 1 -2.818 1.108 -2.609 0.00 0.00 +0.279 C ENDBRANCH 29 43 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 8