REMARK Name = BDB015199 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.582 -0.533 -0.592 0.00 0.00 +0.024 A ATOM 2 C LIG 1 -0.729 -0.523 -1.096 0.00 0.00 +0.055 A ATOM 3 C LIG 1 -1.591 -1.594 -0.871 0.00 0.00 +0.119 A ATOM 4 N LIG 1 -1.213 -2.657 -0.142 0.00 0.00 -0.240 NA ATOM 5 C LIG 1 0.047 -2.677 0.339 0.00 0.00 +0.113 A ATOM 6 C LIG 1 0.963 -1.661 0.143 0.00 0.00 +0.031 A ENDROOT BRANCH 1 12 ATOM 7 N LIG 1 4.779 1.774 -0.051 0.00 0.00 -0.323 N ATOM 8 C LIG 1 3.499 1.578 -0.508 0.00 0.00 +0.145 A ATOM 9 C LIG 1 3.169 2.656 -1.315 0.00 0.00 +0.037 A ATOM 10 C LIG 1 1.902 2.631 -1.883 0.00 0.00 +0.124 A ATOM 11 N LIG 1 1.075 1.590 -1.634 0.00 0.00 -0.235 NA ATOM 12 C LIG 1 1.511 0.591 -0.828 0.00 0.00 +0.162 A ATOM 13 C LIG 1 4.285 3.532 -1.326 0.00 0.00 +0.031 A ATOM 14 N LIG 1 2.713 0.528 -0.220 0.00 0.00 -0.210 NA ATOM 15 C LIG 1 5.261 2.969 -0.530 0.00 0.00 +0.089 A BRANCH 7 16 ATOM 16 C LIG 1 5.492 0.880 0.844 0.00 0.00 +0.219 C BRANCH 16 18 ATOM 17 O LIG 1 6.259 -0.727 -0.754 0.00 0.00 -0.274 OA ATOM 18 C LIG 1 6.568 0.096 0.113 0.00 0.00 +0.236 C ATOM 19 N LIG 1 7.896 0.315 0.452 0.00 0.00 -0.296 N ATOM 20 C LIG 1 8.385 1.309 1.412 0.00 0.00 +0.136 C ATOM 21 C LIG 1 9.880 1.586 1.226 0.00 0.00 +0.179 C ATOM 22 O LIG 1 10.687 0.411 1.346 0.00 0.00 -0.377 OA ATOM 23 C LIG 1 10.079 -0.777 0.817 0.00 0.00 +0.179 C ATOM 24 C LIG 1 8.935 -0.513 -0.168 0.00 0.00 +0.136 C ENDBRANCH 16 18 ENDBRANCH 7 16 ENDBRANCH 1 12 BRANCH 3 25 ATOM 25 N LIG 1 -2.900 -1.501 -1.373 0.00 0.00 -0.327 N ATOM 26 H LIG 1 -2.838 -1.252 -2.358 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 -3.748 -2.684 -1.189 0.00 0.00 +0.135 C BRANCH 27 28 ATOM 28 C LIG 1 -4.228 -2.931 0.253 0.00 0.00 +0.145 C BRANCH 28 29 ATOM 29 O LIG 1 -5.416 -3.754 0.210 0.00 0.00 -0.389 OA ATOM 30 H LIG 1 -6.154 -3.117 0.317 0.00 0.00 +0.210 HD ENDBRANCH 28 29 BRANCH 28 31 ATOM 31 C LIG 1 -4.547 -1.686 1.116 0.00 0.00 +0.117 C BRANCH 31 32 ATOM 32 N LIG 1 -5.891 -1.097 0.857 0.00 0.00 -0.295 NA ATOM 33 C LIG 1 -5.848 -0.201 -0.322 0.00 0.00 +0.120 C ATOM 34 C LIG 1 -7.097 0.637 -0.512 0.00 0.00 -0.030 A ATOM 35 C LIG 1 -7.994 0.853 0.547 0.00 0.00 -0.042 A ATOM 36 C LIG 1 -9.127 1.653 0.350 0.00 0.00 +0.004 A ATOM 37 C LIG 1 -9.355 2.258 -0.885 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -8.458 2.064 -1.932 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -7.766 0.171 1.869 0.00 0.00 +0.051 C ATOM 40 C LIG 1 -7.332 1.261 -1.746 0.00 0.00 +0.005 A ATOM 41 C LIG 1 -6.319 -0.311 2.031 0.00 0.00 +0.089 C ENDBRANCH 31 32 ENDBRANCH 28 31 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 3 25 TORSDOF 9