REMARK Name = BDB038726 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.573 1.253 -0.266 0.00 0.00 -0.012 A ATOM 2 C LIG 1 2.394 0.872 0.388 0.00 0.00 +0.052 A ATOM 3 C LIG 1 1.161 1.100 -0.213 0.00 0.00 +0.129 A ATOM 4 N LIG 1 1.087 1.681 -1.423 0.00 0.00 -0.236 NA ATOM 5 C LIG 1 2.202 2.087 -2.079 0.00 0.00 +0.047 A ATOM 6 C LIG 1 3.453 1.891 -1.503 0.00 0.00 +0.032 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -0.036 0.717 0.429 0.00 0.00 -0.248 N ATOM 8 C LIG 1 -1.313 0.869 -0.115 0.00 0.00 +0.253 C ATOM 9 O LIG 1 -1.694 1.300 -1.186 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 -2.259 0.374 0.896 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -1.537 -0.053 2.005 0.00 0.00 -0.018 A ATOM 12 C LIG 1 -2.189 -0.570 3.110 0.00 0.00 +0.006 A ATOM 13 C LIG 1 -3.587 -0.646 3.075 0.00 0.00 +0.005 A ATOM 14 C LIG 1 -4.322 -0.205 1.950 0.00 0.00 -0.033 A ATOM 15 C LIG 1 -3.638 0.308 0.836 0.00 0.00 +0.018 A ATOM 16 C LIG 1 -0.080 0.144 1.760 0.00 0.00 +0.151 C BRANCH 14 17 ATOM 17 C LIG 1 -5.829 -0.314 1.925 0.00 0.00 +0.116 C BRANCH 17 18 ATOM 18 N LIG 1 -6.239 -1.495 1.171 0.00 0.00 -0.307 NA ATOM 19 H LIG 1 -5.834 -2.326 1.599 0.00 0.00 +0.123 HD BRANCH 18 20 ATOM 20 C LIG 1 -7.691 -1.626 1.075 0.00 0.00 +0.082 C ATOM 21 C LIG 1 -8.135 -2.791 0.186 0.00 0.00 +0.178 C ATOM 22 O LIG 1 -9.437 -3.199 0.644 0.00 0.00 -0.378 OA ATOM 23 C LIG 1 -9.714 -2.516 1.873 0.00 0.00 +0.161 C ATOM 24 C LIG 1 -8.394 -1.973 2.374 0.00 0.00 +0.049 C ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 3 7 BRANCH 1 26 ATOM 25 C LIG 1 5.919 0.262 -0.345 0.00 0.00 +0.028 A ATOM 26 C LIG 1 4.897 0.975 0.331 0.00 0.00 -0.007 A ATOM 27 C LIG 1 5.172 1.458 1.628 0.00 0.00 +0.010 A ATOM 28 C LIG 1 6.414 1.251 2.237 0.00 0.00 +0.019 A ATOM 29 C LIG 1 7.418 0.561 1.559 0.00 0.00 +0.052 A ATOM 30 C LIG 1 7.171 0.076 0.273 0.00 0.00 +0.031 A BRANCH 25 33 ATOM 31 C LIG 1 3.954 -2.005 -1.346 0.00 0.00 +0.152 C ATOM 32 N LIG 1 4.886 -1.234 -2.123 0.00 0.00 -0.317 N ATOM 33 C LIG 1 5.764 -0.266 -1.702 0.00 0.00 +0.164 A ATOM 34 N LIG 1 6.484 0.112 -2.743 0.00 0.00 -0.129 NA ATOM 35 N LIG 1 6.046 -0.573 -3.850 0.00 0.00 -0.138 NA ATOM 36 C LIG 1 5.084 -1.375 -3.463 0.00 0.00 +0.225 A ENDBRANCH 25 33 BRANCH 29 37 ATOM 37 C LIG 1 8.694 0.353 2.178 0.00 0.00 +0.099 C ATOM 38 N LIG 1 9.718 0.178 2.694 0.00 0.00 -0.191 NA ENDBRANCH 29 37 ENDBRANCH 1 26 BRANCH 5 39 ATOM 39 C LIG 1 1.998 2.727 -3.437 0.00 0.00 +0.038 C ATOM 40 C LIG 1 2.955 2.480 -4.579 0.00 0.00 +0.010 C ATOM 41 C LIG 1 2.883 3.839 -3.944 0.00 0.00 +0.010 C ENDBRANCH 5 39 TORSDOF 8