REMARK Name = BDB000285 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.164 -0.676 0.521 0.00 0.00 -0.011 A ATOM 2 C LIG 1 -0.994 0.107 0.547 0.00 0.00 +0.036 A ATOM 3 C LIG 1 0.282 -0.475 0.493 0.00 0.00 +0.079 A ATOM 4 N LIG 1 1.477 0.296 0.550 0.00 0.00 -0.265 N ATOM 5 C LIG 1 2.712 -0.306 0.304 0.00 0.00 +0.265 C ATOM 6 C LIG 1 2.640 -1.794 -0.102 0.00 0.00 +0.289 C ATOM 7 O LIG 1 1.547 -2.558 0.387 0.00 0.00 -0.473 OA ATOM 8 O LIG 1 3.771 0.324 0.327 0.00 0.00 -0.271 OA ATOM 9 C LIG 1 0.367 -1.870 0.408 0.00 0.00 +0.143 A ATOM 10 C LIG 1 -0.782 -2.662 0.404 0.00 0.00 +0.048 A ATOM 11 C LIG 1 -2.042 -2.069 0.454 0.00 0.00 +0.012 A ENDROOT BRANCH 6 12 ATOM 12 C LIG 1 3.909 -2.543 0.290 0.00 0.00 +0.005 A ATOM 13 C LIG 1 4.122 -2.946 1.621 0.00 0.00 +0.049 A ATOM 14 C LIG 1 5.290 -3.617 1.970 0.00 0.00 +0.159 A ATOM 15 F LIG 1 5.473 -3.997 3.241 0.00 0.00 -0.202 F ATOM 16 C LIG 1 6.257 -3.891 1.011 0.00 0.00 +0.158 A ATOM 17 F LIG 1 7.380 -4.538 1.350 0.00 0.00 -0.202 F ATOM 18 C LIG 1 6.069 -3.496 -0.309 0.00 0.00 +0.042 A ATOM 19 C LIG 1 4.899 -2.822 -0.670 0.00 0.00 +0.011 A ENDBRANCH 6 12 BRANCH 1 21 ATOM 20 C LIG 1 -4.160 0.433 -0.542 0.00 0.00 +0.056 A ATOM 21 C LIG 1 -3.489 -0.043 0.583 0.00 0.00 +0.043 A ATOM 22 C LIG 1 -4.170 0.137 1.791 0.00 0.00 +0.129 A ATOM 23 N LIG 1 -5.380 0.707 1.872 0.00 0.00 -0.199 NA ATOM 24 C LIG 1 -5.945 1.103 0.736 0.00 0.00 +0.214 A ATOM 25 N LIG 1 -5.382 1.009 -0.468 0.00 0.00 -0.219 NA BRANCH 22 26 ATOM 26 N LIG 1 -3.612 -0.286 3.013 0.00 0.00 -0.343 N ATOM 27 H LIG 1 -2.708 0.155 3.149 0.00 0.00 +0.144 HD ATOM 28 H LIG 1 -3.460 -1.290 2.984 0.00 0.00 +0.144 HD ENDBRANCH 22 26 BRANCH 24 29 ATOM 29 N LIG 1 -7.186 1.700 0.813 0.00 0.00 -0.327 N ATOM 30 H LIG 1 -7.320 2.074 1.742 0.00 0.00 +0.145 HD ATOM 31 H LIG 1 -7.314 2.328 0.033 0.00 0.00 +0.145 HD ENDBRANCH 24 29 BRANCH 20 33 ATOM 32 C LIG 1 -4.064 -0.957 -2.630 0.00 0.00 +0.010 C ATOM 33 C LIG 1 -3.602 0.318 -1.941 0.00 0.00 +0.053 C ENDBRANCH 20 33 ENDBRANCH 1 21 BRANCH 4 34 ATOM 34 C LIG 1 1.456 1.733 0.816 0.00 0.00 +0.116 C BRANCH 34 35 ATOM 35 C LIG 1 1.348 2.551 -0.469 0.00 0.00 +0.047 C BRANCH 35 36 ATOM 36 C LIG 1 1.367 4.046 -0.172 0.00 0.00 +0.161 C BRANCH 36 37 ATOM 37 O LIG 1 1.115 4.806 -1.353 0.00 0.00 -0.383 OA ATOM 38 C LIG 1 2.271 4.985 -2.162 0.00 0.00 +0.193 C ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 4 34 TORSDOF 9