REMARK Name = BDB038352 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.510 -0.817 1.079 0.00 0.00 +0.121 A ATOM 2 N LIG 1 -1.234 -0.738 -0.238 0.00 0.00 -0.217 NA ATOM 3 C LIG 1 -2.238 -0.830 -1.133 0.00 0.00 +0.128 A ATOM 4 C LIG 1 -3.555 -1.027 -0.751 0.00 0.00 +0.054 A ATOM 5 C LIG 1 -3.850 -1.085 0.607 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.812 -0.995 1.531 0.00 0.00 +0.053 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -5.222 -1.288 1.050 0.00 0.00 +0.079 A ATOM 8 N LIG 1 -5.672 -2.526 1.479 0.00 0.00 -0.266 N ATOM 9 C LIG 1 -4.901 -3.744 1.614 0.00 0.00 +0.173 C ATOM 10 N LIG 1 -6.984 -2.563 1.765 0.00 0.00 -0.179 NA ATOM 11 C LIG 1 -7.394 -1.323 1.504 0.00 0.00 +0.146 A ATOM 12 C LIG 1 -6.345 -0.476 1.075 0.00 0.00 +0.064 A BRANCH 12 13 ATOM 13 C LIG 1 -6.586 1.027 0.723 0.00 0.00 +0.167 A ATOM 14 N LIG 1 -5.730 2.053 0.417 0.00 0.00 -0.316 N ATOM 15 C LIG 1 -4.299 2.114 0.485 0.00 0.00 +0.152 C ATOM 16 C LIG 1 -6.515 3.137 0.143 0.00 0.00 +0.225 A ATOM 17 N LIG 1 -7.774 2.826 0.311 0.00 0.00 -0.138 NA ATOM 18 N LIG 1 -7.818 1.511 0.695 0.00 0.00 -0.129 NA ENDBRANCH 12 13 ENDBRANCH 5 7 BRANCH 3 19 ATOM 19 N LIG 1 -1.973 -0.791 -2.505 0.00 0.00 -0.265 N ATOM 20 H LIG 1 -2.676 -1.157 -3.132 0.00 0.00 +0.157 HD ATOM 21 C LIG 1 -0.783 -0.496 -3.127 0.00 0.00 +0.268 C ATOM 22 O LIG 1 -0.582 -0.881 -4.280 0.00 0.00 -0.268 OA BRANCH 21 23 ATOM 23 C LIG 1 0.237 0.350 -2.457 0.00 0.00 +0.133 A ATOM 24 N LIG 1 -0.203 1.489 -1.872 0.00 0.00 -0.227 NA ATOM 25 C LIG 1 0.729 2.263 -1.296 0.00 0.00 +0.137 A ATOM 26 N LIG 1 2.044 1.971 -1.314 0.00 0.00 -0.198 NA ATOM 27 C LIG 1 2.421 0.844 -1.941 0.00 0.00 +0.219 A ATOM 28 C LIG 1 1.555 -0.017 -2.551 0.00 0.00 +0.100 A BRANCH 25 29 ATOM 29 C LIG 1 0.282 3.514 -0.582 0.00 0.00 +0.057 C ATOM 30 C LIG 1 0.756 3.792 0.828 0.00 0.00 +0.012 C ATOM 31 C LIG 1 -0.675 3.417 0.587 0.00 0.00 +0.012 C ENDBRANCH 25 29 BRANCH 27 32 ATOM 32 O LIG 1 3.758 0.505 -2.002 0.00 0.00 -0.475 OA BRANCH 32 33 ATOM 33 C LIG 1 4.597 1.353 -1.208 0.00 0.00 +0.246 C BRANCH 33 34 ATOM 34 C LIG 1 6.059 0.882 -1.318 0.00 0.00 +0.125 C BRANCH 34 35 ATOM 35 N LIG 1 6.382 -0.278 -0.469 0.00 0.00 -0.299 NA ATOM 36 C LIG 1 7.808 -0.612 -0.531 0.00 0.00 +0.084 C ATOM 37 C LIG 1 7.859 -1.990 0.106 0.00 0.00 +0.017 C ATOM 38 C LIG 1 6.499 -2.610 -0.195 0.00 0.00 +0.017 C ATOM 39 C LIG 1 5.694 -1.507 -0.870 0.00 0.00 +0.084 C ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 27 32 ENDBRANCH 21 23 ENDBRANCH 3 19 BRANCH 1 40 ATOM 40 N LIG 1 -0.488 -0.786 2.039 0.00 0.00 -0.329 N ATOM 41 H LIG 1 -0.729 -0.118 2.766 0.00 0.00 +0.147 HD BRANCH 40 43 ATOM 42 C LIG 1 1.485 -1.855 1.020 0.00 0.00 +0.024 C ATOM 43 C LIG 1 0.872 -0.569 1.550 0.00 0.00 +0.099 C ENDBRANCH 40 43 ENDBRANCH 1 40 TORSDOF 11