REMARK Name = BDB027161 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.024 -1.609 -0.454 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.005 -2.511 -1.195 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -2.775 -3.491 -0.549 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -3.658 -4.297 -1.273 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -3.772 -4.148 -2.653 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -2.995 -3.202 -3.315 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -2.113 -2.395 -2.594 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 9 ATOM 8 O LIG 1 -0.891 -2.122 1.900 0.00 0.00 -0.290 OA ATOM 9 C LIG 1 -1.401 -1.398 1.033 0.00 0.00 +0.186 C BRANCH 9 10 ATOM 10 C LIG 1 -2.333 -0.330 1.428 0.00 0.00 +0.044 A ATOM 11 C LIG 1 -3.188 0.545 0.668 0.00 0.00 +0.010 A ATOM 12 C LIG 1 -3.835 1.388 1.581 0.00 0.00 +0.047 A ATOM 13 C LIG 1 -4.744 2.384 1.200 0.00 0.00 +0.026 A ATOM 14 C LIG 1 -5.019 2.532 -0.159 0.00 0.00 +0.002 A ATOM 15 C LIG 1 -4.410 1.710 -1.098 0.00 0.00 +0.001 A ATOM 16 N LIG 1 -3.413 1.036 2.838 0.00 0.00 -0.360 N ATOM 17 H LIG 1 -3.725 1.476 3.693 0.00 0.00 +0.165 HD ATOM 18 C LIG 1 -3.502 0.720 -0.700 0.00 0.00 +0.011 A ATOM 19 C LIG 1 -2.521 0.009 2.761 0.00 0.00 +0.095 A ENDBRANCH 9 10 ENDBRANCH 1 9 BRANCH 1 20 ATOM 20 N LIG 1 0.333 -2.209 -0.561 0.00 0.00 -0.303 NA ATOM 21 H LIG 1 0.444 -2.856 0.226 0.00 0.00 +0.123 HD BRANCH 20 22 ATOM 22 C LIG 1 1.426 -1.233 -0.576 0.00 0.00 +0.086 C BRANCH 22 23 ATOM 23 C LIG 1 1.714 -0.541 0.764 0.00 0.00 +0.050 C BRANCH 23 24 ATOM 24 C LIG 1 2.920 0.364 0.674 0.00 0.00 -0.046 A ATOM 25 C LIG 1 4.203 -0.134 0.931 0.00 0.00 +0.004 A ATOM 26 C LIG 1 5.321 0.700 0.830 0.00 0.00 +0.012 A ATOM 27 C LIG 1 5.179 2.046 0.467 0.00 0.00 +0.023 A ATOM 28 C LIG 1 3.893 2.540 0.205 0.00 0.00 +0.012 A ATOM 29 C LIG 1 2.774 1.707 0.306 0.00 0.00 +0.004 A BRANCH 27 30 ATOM 30 C LIG 1 6.348 2.911 0.364 0.00 0.00 +0.204 A ATOM 31 N LIG 1 6.312 4.215 0.032 0.00 0.00 -0.133 NA ATOM 32 N LIG 1 7.619 4.510 0.088 0.00 0.00 -0.176 N ATOM 33 H LIG 1 7.973 5.441 -0.111 0.00 0.00 +0.214 HD ATOM 34 N LIG 1 8.436 3.506 0.421 0.00 0.00 -0.049 NA ATOM 35 N LIG 1 7.631 2.469 0.603 0.00 0.00 -0.108 NA ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 20 22 ENDBRANCH 1 20 TORSDOF 8