REMARK Name = BDB040350 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.909 1.059 0.020 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.271 -0.172 0.201 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.666 -1.314 0.047 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.093 0.117 0.663 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -2.102 -0.771 0.986 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -3.332 -0.257 1.432 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -3.474 1.146 1.557 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -2.441 2.041 1.209 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -1.245 1.493 0.761 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.020 2.168 0.338 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 4.516 0.359 -0.895 0.00 0.00 -0.036 A ATOM 12 C LIG 1 3.152 0.196 -0.545 0.00 0.00 +0.027 A ATOM 13 C LIG 1 2.263 1.267 -0.364 0.00 0.00 +0.037 A ATOM 14 C LIG 1 2.761 2.560 -0.555 0.00 0.00 +0.023 A ATOM 15 C LIG 1 4.096 2.767 -0.901 0.00 0.00 +0.002 A ATOM 16 C LIG 1 4.956 1.683 -1.063 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 5.500 -0.924 -1.046 0.00 0.00 +0.045 C ATOM 18 C LIG 1 6.668 -0.834 -2.088 0.00 0.00 +0.090 C ATOM 19 C LIG 1 5.744 -1.488 -3.132 0.00 0.00 +0.251 C ATOM 20 F LIG 1 6.339 -2.391 -3.942 0.00 0.00 -0.206 F ATOM 21 F LIG 1 5.078 -0.628 -3.934 0.00 0.00 -0.206 F ATOM 22 C LIG 1 4.935 -2.076 -1.961 0.00 0.00 +0.090 C BRANCH 17 23 ATOM 23 C LIG 1 5.935 -1.435 0.346 0.00 0.00 +0.244 C ATOM 24 F LIG 1 6.621 -2.605 0.170 0.00 0.00 -0.236 F BRANCH 23 26 ATOM 25 N LIG 1 8.111 -0.413 1.274 0.00 0.00 -0.315 N ATOM 26 C LIG 1 6.743 -0.457 1.138 0.00 0.00 +0.168 A ATOM 27 N LIG 1 6.227 0.514 1.874 0.00 0.00 -0.132 NA ATOM 28 N LIG 1 7.246 1.198 2.480 0.00 0.00 -0.138 NA ATOM 29 C LIG 1 8.369 0.625 2.124 0.00 0.00 +0.225 A BRANCH 25 31 ATOM 30 C LIG 1 10.056 -0.554 -0.247 0.00 0.00 +0.027 C ATOM 31 C LIG 1 9.136 -1.273 0.729 0.00 0.00 +0.121 C ENDBRANCH 25 31 ENDBRANCH 23 26 ENDBRANCH 17 23 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 32 ATOM 32 C LIG 1 -2.614 3.531 1.336 0.00 0.00 +0.418 C ATOM 33 F LIG 1 -2.250 4.192 0.202 0.00 0.00 -0.166 F ATOM 34 F LIG 1 -1.851 4.055 2.331 0.00 0.00 -0.166 F ATOM 35 F LIG 1 -3.894 3.913 1.598 0.00 0.00 -0.166 F ENDBRANCH 8 32 BRANCH 6 36 ATOM 36 C LIG 1 -4.432 -1.234 1.820 0.00 0.00 +0.120 C BRANCH 36 37 ATOM 37 N LIG 1 -5.796 -0.928 1.394 0.00 0.00 -0.293 NA ATOM 38 C LIG 1 -6.040 -0.609 -0.025 0.00 0.00 +0.074 C ATOM 39 C LIG 1 -7.554 -0.305 -0.334 0.00 0.00 +0.103 C ATOM 40 N LIG 1 -8.331 0.393 0.706 0.00 0.00 -0.303 NA ATOM 41 C LIG 1 -9.235 1.391 0.146 0.00 0.00 +0.105 C ATOM 42 C LIG 1 -7.469 0.955 1.742 0.00 0.00 +0.099 C ATOM 43 C LIG 1 -6.565 -0.133 2.357 0.00 0.00 +0.100 C BRANCH 38 44 ATOM 44 C LIG 1 -5.462 -1.678 -1.011 0.00 0.00 +0.001 C ATOM 45 C LIG 1 -5.627 -1.261 -2.476 0.00 0.00 +0.009 C ATOM 46 C LIG 1 -6.043 -3.083 -0.809 0.00 0.00 +0.009 C ENDBRANCH 38 44 ENDBRANCH 36 37 ENDBRANCH 6 36 TORSDOF 9