REMARK Name = BDB036015 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.402 -0.397 -1.508 0.00 0.00 +0.056 A ATOM 2 N LIG 1 3.448 -1.761 -1.379 0.00 0.00 -0.255 NA ATOM 3 C LIG 1 2.315 -2.461 -1.099 0.00 0.00 +0.050 A ATOM 4 C LIG 1 1.127 -1.781 -0.958 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -0.240 -2.284 -0.665 0.00 0.00 +0.151 C ATOM 6 N LIG 1 -1.052 -1.073 -0.636 0.00 0.00 -0.263 N ATOM 7 C LIG 1 -0.272 0.059 -0.897 0.00 0.00 +0.252 C ATOM 8 O LIG 1 -0.567 1.236 -0.981 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 1.105 -0.404 -1.093 0.00 0.00 +0.045 A ATOM 10 C LIG 1 2.233 0.333 -1.365 0.00 0.00 +0.038 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -2.451 -1.102 -0.381 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -3.222 0.070 -0.323 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -4.620 0.079 -0.080 0.00 0.00 -0.032 A ATOM 14 C LIG 1 -5.221 -1.178 0.108 0.00 0.00 +0.005 A ATOM 15 C LIG 1 -4.483 -2.359 0.065 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -3.110 -2.320 -0.176 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -5.440 1.474 -0.031 0.00 0.00 +0.056 C ATOM 18 C LIG 1 -5.462 2.286 -1.383 0.00 0.00 +0.022 C ATOM 19 C LIG 1 -6.822 1.616 -1.694 0.00 0.00 -0.012 C ATOM 20 C LIG 1 -7.847 2.466 -2.417 0.00 0.00 +0.007 C ATOM 21 C LIG 1 -7.006 1.461 -0.166 0.00 0.00 +0.022 C BRANCH 17 22 ATOM 22 C LIG 1 -4.983 2.345 1.210 0.00 0.00 +0.144 A ATOM 23 N LIG 1 -4.996 1.987 2.531 0.00 0.00 -0.320 N ATOM 24 C LIG 1 -5.418 0.741 3.107 0.00 0.00 +0.151 C ATOM 25 C LIG 1 -4.529 3.064 3.219 0.00 0.00 +0.224 A ATOM 26 N LIG 1 -4.256 4.035 2.381 0.00 0.00 -0.138 NA ATOM 27 N LIG 1 -4.539 3.582 1.115 0.00 0.00 -0.134 NA ENDBRANCH 17 22 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 28 ATOM 28 C LIG 1 2.402 -3.961 -0.972 0.00 0.00 +0.038 C ATOM 29 C LIG 1 2.194 -4.623 0.372 0.00 0.00 +0.010 C ATOM 30 C LIG 1 3.563 -4.589 -0.235 0.00 0.00 +0.010 C ENDBRANCH 3 28 BRANCH 1 31 ATOM 31 C LIG 1 4.716 0.316 -1.780 0.00 0.00 +0.139 C BRANCH 31 39 ATOM 32 C LIG 1 6.641 -0.007 2.778 0.00 0.00 +0.015 C ATOM 33 C LIG 1 6.505 0.809 1.495 0.00 0.00 +0.069 C ATOM 34 C LIG 1 7.841 0.950 0.772 0.00 0.00 +0.254 C ATOM 35 F LIG 1 8.584 1.897 1.405 0.00 0.00 -0.205 F ATOM 36 F LIG 1 8.555 -0.206 0.866 0.00 0.00 -0.205 F ATOM 37 C LIG 1 7.719 1.298 -0.702 0.00 0.00 +0.091 C ATOM 38 C LIG 1 6.369 1.933 -0.991 0.00 0.00 +0.090 C ATOM 39 N LIG 1 5.232 1.076 -0.621 0.00 0.00 -0.296 NA ATOM 40 C LIG 1 5.498 0.186 0.529 0.00 0.00 +0.093 C ENDBRANCH 31 39 ENDBRANCH 1 31 TORSDOF 6