REMARK Name = BDB022417 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.145 -1.543 0.947 0.00 0.00 -0.018 A ATOM 2 C LIG 1 0.312 -1.702 -0.174 0.00 0.00 +0.013 A ATOM 3 C LIG 1 -0.804 -2.559 -0.149 0.00 0.00 -0.035 A ATOM 4 C LIG 1 -1.080 -3.278 1.021 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -0.264 -3.135 2.141 0.00 0.00 +0.001 A ATOM 6 C LIG 1 0.835 -2.275 2.104 0.00 0.00 +0.008 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 4.556 1.098 0.837 0.00 0.00 +0.069 A ATOM 8 C LIG 1 3.292 1.524 0.414 0.00 0.00 +0.145 A ATOM 9 F LIG 1 3.137 2.782 -0.030 0.00 0.00 -0.204 F ATOM 10 C LIG 1 2.183 0.681 0.444 0.00 0.00 +0.048 A ATOM 11 C LIG 1 2.306 -0.637 0.907 0.00 0.00 -0.015 A ATOM 12 C LIG 1 3.578 -1.064 1.330 0.00 0.00 +0.010 A ATOM 13 C LIG 1 4.690 -0.209 1.297 0.00 0.00 +0.027 A BRANCH 7 15 ATOM 14 C LIG 1 6.923 1.848 1.130 0.00 0.00 +0.241 C ATOM 15 N LIG 1 5.610 2.035 0.761 0.00 0.00 -0.280 N ATOM 16 H LIG 1 5.337 2.938 0.390 0.00 0.00 +0.155 HD ATOM 17 O LIG 1 7.419 0.835 1.603 0.00 0.00 -0.271 OA BRANCH 14 19 ATOM 18 C LIG 1 9.050 3.087 1.191 0.00 0.00 +0.013 C ATOM 19 C LIG 1 7.744 3.071 0.891 0.00 0.00 +0.060 C ENDBRANCH 14 19 ENDBRANCH 7 15 ENDBRANCH 1 11 BRANCH 3 20 ATOM 20 C LIG 1 -1.708 -2.702 -1.368 0.00 0.00 +0.105 C BRANCH 20 21 ATOM 21 C LIG 1 -2.262 -1.334 -1.823 0.00 0.00 +0.226 C ATOM 22 N LIG 1 -2.982 -0.709 -0.816 0.00 0.00 -0.268 N ATOM 23 H LIG 1 -2.997 -1.134 0.100 0.00 0.00 +0.156 HD ATOM 24 O LIG 1 -2.070 -0.913 -2.959 0.00 0.00 -0.275 OA BRANCH 22 25 ATOM 25 C LIG 1 -3.618 0.509 -0.921 0.00 0.00 +0.147 A ATOM 26 N LIG 1 -3.699 1.251 -2.026 0.00 0.00 -0.158 NA ATOM 27 N LIG 1 -4.400 2.332 -1.661 0.00 0.00 -0.280 N ATOM 28 H LIG 1 -4.581 3.048 -2.355 0.00 0.00 +0.189 HD ATOM 29 C LIG 1 -4.786 2.303 -0.356 0.00 0.00 +0.041 A ATOM 30 C LIG 1 -4.288 1.134 0.162 0.00 0.00 +0.068 A BRANCH 29 31 ATOM 31 C LIG 1 -5.593 3.384 0.390 0.00 0.00 +0.037 C ATOM 32 C LIG 1 -6.889 2.998 1.051 0.00 0.00 +0.010 C ATOM 33 C LIG 1 -6.904 3.846 -0.188 0.00 0.00 +0.010 C ENDBRANCH 29 31 ENDBRANCH 22 25 ENDBRANCH 20 21 BRANCH 20 34 ATOM 34 C LIG 1 -1.003 -3.432 -2.530 0.00 0.00 +0.014 C ATOM 35 C LIG 1 -0.643 -4.877 -2.205 0.00 0.00 +0.005 C ENDBRANCH 20 34 ENDBRANCH 3 20 TORSDOF 8