REMARK Name = BDB017586 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.932 0.253 1.350 0.00 0.00 -0.031 A ATOM 2 C LIG 1 -1.611 1.278 0.694 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -2.962 1.135 0.364 0.00 0.00 +0.052 A ATOM 4 C LIG 1 -3.694 -0.037 0.660 0.00 0.00 +0.025 A ATOM 5 C LIG 1 -5.128 -0.057 0.226 0.00 0.00 +0.045 A ATOM 6 N LIG 1 -5.878 -1.222 0.411 0.00 0.00 -0.343 N ATOM 7 H LIG 1 -5.454 -1.981 -0.127 0.00 0.00 +0.146 HD ATOM 8 C LIG 1 -7.332 -1.210 0.228 0.00 0.00 +0.102 C ATOM 9 C LIG 1 -7.691 -0.361 -0.981 0.00 0.00 +0.023 C ATOM 10 C LIG 1 -7.113 1.047 -0.827 0.00 0.00 +0.044 C ATOM 11 C LIG 1 -5.686 1.032 -0.342 0.00 0.00 +0.038 A ATOM 12 C LIG 1 -4.902 2.268 -0.584 0.00 0.00 +0.254 A ATOM 13 O LIG 1 -5.406 3.273 -1.074 0.00 0.00 -0.268 OA ATOM 14 C LIG 1 -3.016 -1.066 1.367 0.00 0.00 -0.011 A ATOM 15 N LIG 1 -3.583 2.226 -0.254 0.00 0.00 -0.322 N ATOM 16 H LIG 1 -3.063 3.073 -0.434 0.00 0.00 +0.169 HD ATOM 17 C LIG 1 -1.647 -0.899 1.692 0.00 0.00 +0.011 A ENDROOT BRANCH 1 18 ATOM 18 C LIG 1 0.522 0.409 1.743 0.00 0.00 +0.119 C BRANCH 18 22 ATOM 19 N LIG 1 4.008 0.183 -0.611 0.00 0.00 -0.327 N ATOM 20 C LIG 1 3.776 1.471 0.080 0.00 0.00 +0.120 C ATOM 21 C LIG 1 2.676 1.347 1.160 0.00 0.00 +0.103 C ATOM 22 N LIG 1 1.375 0.872 0.639 0.00 0.00 -0.295 NA ATOM 23 C LIG 1 1.562 -0.156 -0.414 0.00 0.00 +0.103 C ATOM 24 C LIG 1 2.954 -0.830 -0.428 0.00 0.00 +0.120 C BRANCH 19 27 ATOM 25 C LIG 1 5.807 1.797 -2.288 0.00 0.00 +0.046 C ATOM 26 C LIG 1 6.239 0.557 -1.547 0.00 0.00 -0.028 A ATOM 27 C LIG 1 5.336 -0.210 -0.773 0.00 0.00 +0.033 A ATOM 28 C LIG 1 5.829 -1.385 -0.178 0.00 0.00 +0.024 A ATOM 29 C LIG 1 7.167 -1.775 -0.304 0.00 0.00 +0.021 A ATOM 30 C LIG 1 8.054 -0.994 -1.039 0.00 0.00 +0.052 A ATOM 31 C LIG 1 7.590 0.168 -1.656 0.00 0.00 +0.024 A BRANCH 30 32 ATOM 32 C LIG 1 9.428 -1.383 -1.165 0.00 0.00 +0.099 C ATOM 33 N LIG 1 10.540 -1.698 -1.264 0.00 0.00 -0.191 NA ENDBRANCH 30 32 ENDBRANCH 19 27 ENDBRANCH 18 22 ENDBRANCH 1 18 BRANCH 14 34 ATOM 34 C LIG 1 -3.645 -2.363 1.825 0.00 0.00 +0.191 C BRANCH 34 35 ATOM 35 O LIG 1 -4.733 -2.138 2.706 0.00 0.00 -0.390 OA ATOM 36 H LIG 1 -5.375 -1.617 2.179 0.00 0.00 +0.210 HD ENDBRANCH 34 35 ENDBRANCH 14 34 TORSDOF 6