REMARK Name = BDB035641 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.109 0.324 -0.625 0.00 0.00 -0.263 N ATOM 2 C LIG 1 1.283 0.636 -1.320 0.00 0.00 +0.251 C ATOM 3 O LIG 1 1.462 1.006 -2.465 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.398 0.443 -0.384 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.752 0.622 -0.604 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.631 0.377 0.461 0.00 0.00 -0.032 A ATOM 7 C LIG 1 4.115 -0.057 1.706 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.732 -0.237 1.912 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.886 0.027 0.838 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.397 -0.069 0.750 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.646 0.080 -0.790 0.00 0.00 -0.035 A ATOM 12 C LIG 1 -2.312 0.038 -0.322 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.216 0.368 -1.138 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.486 0.741 -2.458 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -2.796 0.790 -2.942 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -3.869 0.467 -2.115 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -4.768 -0.264 0.194 0.00 0.00 +0.090 C BRANCH 17 20 ATOM 18 C LIG 1 -5.316 2.877 -0.125 0.00 0.00 +0.151 C ATOM 19 N LIG 1 -5.133 2.137 1.094 0.00 0.00 -0.320 N ATOM 20 C LIG 1 -4.894 0.796 1.266 0.00 0.00 +0.141 A ATOM 21 N LIG 1 -4.774 0.561 2.561 0.00 0.00 -0.134 NA ATOM 22 N LIG 1 -4.938 1.744 3.235 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 -5.151 2.680 2.343 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 C LIG 1 -6.148 -0.661 -0.411 0.00 0.00 +0.008 C ATOM 25 C LIG 1 -7.236 -0.871 0.671 0.00 0.00 +0.032 C ATOM 26 C LIG 1 -8.380 -1.762 0.194 0.00 0.00 +0.160 C ATOM 27 O LIG 1 -8.519 -1.669 -1.219 0.00 0.00 -0.380 OA ATOM 28 C LIG 1 -7.415 -2.258 -1.907 0.00 0.00 +0.160 C ATOM 29 C LIG 1 -6.069 -1.951 -1.248 0.00 0.00 +0.032 C ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 2.184 -0.690 3.239 0.00 0.00 +0.418 C ATOM 31 F LIG 1 1.410 -1.804 3.123 0.00 0.00 -0.166 F ATOM 32 F LIG 1 1.395 0.255 3.817 0.00 0.00 -0.166 F ATOM 33 F LIG 1 3.145 -0.993 4.153 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 6.125 0.544 0.262 0.00 0.00 +0.116 C BRANCH 34 35 ATOM 35 N LIG 1 6.660 -0.604 -0.463 0.00 0.00 -0.307 NA ATOM 36 H LIG 1 6.364 -1.456 0.013 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 8.092 -0.604 -0.812 0.00 0.00 +0.017 C ATOM 38 C LIG 1 8.999 -0.323 0.406 0.00 0.00 +0.022 C ATOM 39 C LIG 1 9.185 1.126 -0.089 0.00 0.00 +0.004 C ATOM 40 C LIG 1 8.566 0.724 -1.444 0.00 0.00 +0.022 C ATOM 41 C LIG 1 8.439 -1.852 -1.610 0.00 0.00 +0.027 C ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 8