REMARK Name = BDB064652 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.015 0.402 2.666 0.00 0.00 +0.234 C ATOM 2 N LIG 1 0.485 0.897 1.466 0.00 0.00 -0.302 N ATOM 3 H LIG 1 -0.208 1.405 0.912 0.00 0.00 +0.150 HD ATOM 4 O LIG 1 0.632 -0.434 3.323 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 -2.607 1.206 0.958 0.00 0.00 +0.241 C ATOM 6 N LIG 1 -2.401 0.564 2.166 0.00 0.00 -0.286 N ATOM 7 C LIG 1 -1.348 0.990 3.100 0.00 0.00 +0.164 C ATOM 8 C LIG 1 -1.802 0.418 4.442 0.00 0.00 +0.065 C ATOM 9 C LIG 1 -2.475 -0.893 4.039 0.00 0.00 +0.134 C ATOM 10 C LIG 1 -3.198 -0.510 2.746 0.00 0.00 +0.140 C ATOM 11 O LIG 1 -1.835 2.114 0.624 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 O LIG 1 -3.377 -1.333 5.041 0.00 0.00 -0.390 OA ATOM 13 H LIG 1 -2.852 -1.507 5.842 0.00 0.00 +0.210 HD ENDBRANCH 9 12 BRANCH 5 14 ATOM 14 C LIG 1 -3.732 0.709 0.030 0.00 0.00 +0.195 C BRANCH 14 18 ATOM 15 C LIG 1 -8.432 0.355 1.792 0.00 0.00 +0.047 C ATOM 16 C LIG 1 -7.099 0.843 1.377 0.00 0.00 -0.013 A ATOM 17 C LIG 1 -6.064 0.127 0.813 0.00 0.00 +0.112 A ATOM 18 N LIG 1 -5.035 1.012 0.622 0.00 0.00 -0.259 N ATOM 19 N LIG 1 -5.347 2.265 1.005 0.00 0.00 -0.179 NA ATOM 20 C LIG 1 -6.593 2.158 1.471 0.00 0.00 +0.137 A ENDBRANCH 14 18 BRANCH 14 21 ATOM 21 C LIG 1 -3.612 1.283 -1.415 0.00 0.00 +0.016 C ATOM 22 C LIG 1 -4.824 0.935 -2.293 0.00 0.00 +0.010 C ATOM 23 C LIG 1 -2.353 0.763 -2.123 0.00 0.00 +0.010 C ENDBRANCH 14 21 ENDBRANCH 5 14 ENDBRANCH 1 7 BRANCH 2 24 ATOM 24 C LIG 1 1.503 0.163 0.720 0.00 0.00 +0.163 C BRANCH 24 25 ATOM 25 C LIG 1 0.798 -1.006 -0.010 0.00 0.00 +0.231 C ATOM 26 O LIG 1 -0.417 -1.071 -0.199 0.00 0.00 -0.274 OA ATOM 27 N LIG 1 1.608 -2.003 -0.473 0.00 0.00 -0.328 N ATOM 28 H LIG 1 2.616 -1.986 -0.376 0.00 0.00 +0.145 HD ATOM 29 H LIG 1 1.182 -2.780 -0.959 0.00 0.00 +0.145 HD ENDBRANCH 24 25 BRANCH 24 30 ATOM 30 C LIG 1 2.201 1.100 -0.278 0.00 0.00 +0.067 C BRANCH 30 31 ATOM 31 C LIG 1 3.485 0.545 -0.850 0.00 0.00 -0.045 A ATOM 32 C LIG 1 4.612 0.377 -0.038 0.00 0.00 +0.004 A ATOM 33 C LIG 1 5.792 -0.158 -0.564 0.00 0.00 +0.009 A ATOM 34 C LIG 1 5.880 -0.534 -1.913 0.00 0.00 -0.018 A ATOM 35 C LIG 1 4.747 -0.352 -2.721 0.00 0.00 +0.009 A ATOM 36 C LIG 1 3.565 0.183 -2.199 0.00 0.00 +0.004 A BRANCH 34 37 ATOM 37 C LIG 1 7.124 -1.096 -2.466 0.00 0.00 -0.018 A ATOM 38 C LIG 1 8.351 -0.429 -2.312 0.00 0.00 +0.008 A ATOM 39 C LIG 1 9.533 -0.962 -2.835 0.00 0.00 +0.001 A ATOM 40 C LIG 1 9.507 -2.173 -3.521 0.00 0.00 +0.000 A ATOM 41 C LIG 1 8.302 -2.851 -3.685 0.00 0.00 +0.001 A ATOM 42 C LIG 1 7.122 -2.316 -3.162 0.00 0.00 +0.008 A ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 24 30 ENDBRANCH 2 24 TORSDOF 10