REMARK Name = BDB010319 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.645 -0.232 1.278 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.355 -0.717 1.093 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -0.195 -1.580 2.027 0.00 0.00 +0.185 A ATOM 4 N LIG 1 -1.437 -1.999 1.656 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 -1.674 -1.428 0.500 0.00 0.00 +0.201 A ATOM 6 N LIG 1 0.420 -1.968 3.154 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 1.633 -1.418 3.289 0.00 0.00 +0.242 A ATOM 8 N LIG 1 -0.665 -0.532 0.184 0.00 0.00 -0.307 N ATOM 9 N LIG 1 2.258 -0.590 2.422 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 -2.778 -1.562 -0.277 0.00 0.00 -0.295 N ATOM 11 C LIG 1 -4.042 -2.028 0.316 0.00 0.00 +0.077 C ATOM 12 C LIG 1 -5.003 -1.817 -0.871 0.00 0.00 +0.024 C ATOM 13 C LIG 1 -4.122 -1.991 -2.121 0.00 0.00 +0.024 C ATOM 14 C LIG 1 -3.963 -3.521 0.697 0.00 0.00 +0.022 C ATOM 15 C LIG 1 -3.538 -4.412 -0.476 0.00 0.00 +0.004 C ATOM 16 C LIG 1 -2.455 -3.759 -1.341 0.00 0.00 +0.022 C ATOM 17 C LIG 1 -2.708 -2.256 -1.570 0.00 0.00 +0.077 C ENDBRANCH 5 10 BRANCH 1 18 ATOM 18 N LIG 1 2.302 0.564 0.347 0.00 0.00 -0.324 N ATOM 19 H LIG 1 2.102 0.280 -0.604 0.00 0.00 +0.148 HD BRANCH 18 21 ATOM 20 C LIG 1 4.023 2.162 -0.197 0.00 0.00 +0.028 C ATOM 21 C LIG 1 3.718 0.875 0.574 0.00 0.00 +0.072 C BRANCH 21 22 ATOM 22 C LIG 1 4.611 -0.298 0.151 0.00 0.00 +0.009 C ATOM 23 C LIG 1 4.689 -0.740 -1.339 0.00 0.00 +0.005 C ATOM 24 C LIG 1 6.144 -1.173 -1.053 0.00 0.00 +0.001 C ATOM 25 C LIG 1 6.157 -0.130 0.085 0.00 0.00 +0.005 C ENDBRANCH 21 22 ENDBRANCH 18 21 ENDBRANCH 1 18 BRANCH 7 26 ATOM 26 C LIG 1 2.417 -1.766 4.528 0.00 0.00 +0.375 C ATOM 27 O LIG 1 3.545 -1.391 4.807 0.00 0.00 -0.242 OA BRANCH 26 28 ATOM 28 O LIG 1 1.753 -2.582 5.378 0.00 0.00 -0.475 OA ATOM 29 H LIG 1 2.377 -2.714 6.120 0.00 0.00 +0.296 HD ENDBRANCH 26 28 ENDBRANCH 7 26 BRANCH 8 30 ATOM 30 C LIG 1 -0.768 0.522 -0.812 0.00 0.00 +0.128 C BRANCH 30 31 ATOM 31 C LIG 1 -1.816 1.613 -0.485 0.00 0.00 +0.009 C ATOM 32 C LIG 1 -2.038 2.534 -1.698 0.00 0.00 +0.005 C ATOM 33 C LIG 1 -0.873 3.495 -1.941 0.00 0.00 +0.003 C ATOM 34 C LIG 1 -0.506 4.321 -0.701 0.00 0.00 -0.014 C ATOM 35 C LIG 1 -1.543 5.414 -0.424 0.00 0.00 +0.007 C ATOM 36 C LIG 1 -0.300 3.417 0.522 0.00 0.00 +0.003 C ATOM 37 C LIG 1 -1.458 2.447 0.757 0.00 0.00 +0.005 C ENDBRANCH 30 31 ENDBRANCH 8 30 TORSDOF 8