REMARK Name = BDB035661 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.460 -0.986 -0.254 0.00 0.00 -0.029 A ATOM 2 C LIG 1 2.612 -0.782 0.848 0.00 0.00 +0.018 A ATOM 3 C LIG 1 1.244 -0.754 0.628 0.00 0.00 +0.044 A ATOM 4 C LIG 1 0.163 -0.566 1.602 0.00 0.00 +0.251 C ATOM 5 N LIG 1 -1.040 -0.615 0.891 0.00 0.00 -0.263 N ATOM 6 C LIG 1 -0.802 -0.822 -0.534 0.00 0.00 +0.151 C ATOM 7 O LIG 1 0.389 -0.406 2.788 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 0.681 -0.908 -0.630 0.00 0.00 +0.001 A ATOM 9 C LIG 1 1.497 -1.097 -1.726 0.00 0.00 +0.047 A ATOM 10 CL LIG 1 0.840 -1.282 -3.302 0.00 0.00 -0.083 Cl ATOM 11 C LIG 1 2.885 -1.133 -1.540 0.00 0.00 +0.025 A ENDROOT BRANCH 5 12 ATOM 12 C LIG 1 -2.350 -0.487 1.430 0.00 0.00 +0.037 A ATOM 13 C LIG 1 -3.478 -0.528 0.591 0.00 0.00 +0.028 A ATOM 14 C LIG 1 -4.813 -0.390 1.055 0.00 0.00 -0.032 A ATOM 15 C LIG 1 -4.966 -0.231 2.442 0.00 0.00 +0.005 A ATOM 16 C LIG 1 -3.868 -0.193 3.300 0.00 0.00 +0.002 A ATOM 17 C LIG 1 -2.573 -0.314 2.796 0.00 0.00 +0.023 A BRANCH 14 18 ATOM 18 C LIG 1 -6.046 -0.416 0.015 0.00 0.00 +0.061 C ATOM 19 C LIG 1 -6.398 -1.828 -0.574 0.00 0.00 +0.056 C ATOM 20 C LIG 1 -7.516 -1.930 0.482 0.00 0.00 +0.169 C ATOM 21 F LIG 1 -7.175 -2.537 1.643 0.00 0.00 -0.245 F ATOM 22 C LIG 1 -7.525 -0.390 0.527 0.00 0.00 +0.056 C BRANCH 18 23 ATOM 23 C LIG 1 -5.815 0.681 -1.103 0.00 0.00 +0.144 A ATOM 24 N LIG 1 -5.721 2.035 -0.931 0.00 0.00 -0.320 N ATOM 25 C LIG 1 -5.813 2.777 0.296 0.00 0.00 +0.151 C ATOM 26 C LIG 1 -5.493 2.555 -2.167 0.00 0.00 +0.224 A ATOM 27 N LIG 1 -5.445 1.585 -3.049 0.00 0.00 -0.138 NA ATOM 28 N LIG 1 -5.642 0.401 -2.378 0.00 0.00 -0.134 NA ENDBRANCH 18 23 ENDBRANCH 14 18 ENDBRANCH 5 12 BRANCH 1 30 ATOM 29 C LIG 1 5.620 -2.214 -0.714 0.00 0.00 +0.029 C ATOM 30 C LIG 1 4.974 -0.998 -0.041 0.00 0.00 +0.081 C BRANCH 30 31 ATOM 31 N LIG 1 5.515 0.285 -0.502 0.00 0.00 -0.304 NA ATOM 32 H LIG 1 5.323 0.398 -1.496 0.00 0.00 +0.123 HD BRANCH 31 33 ATOM 33 C LIG 1 6.905 0.584 -0.100 0.00 0.00 +0.017 C ATOM 34 C LIG 1 7.166 2.069 -0.503 0.00 0.00 +0.022 C ATOM 35 C LIG 1 7.707 1.580 -1.859 0.00 0.00 +0.004 C ATOM 36 C LIG 1 7.891 0.184 -1.233 0.00 0.00 +0.022 C ATOM 37 C LIG 1 7.276 0.272 1.336 0.00 0.00 +0.027 C ENDBRANCH 31 33 ENDBRANCH 30 31 ENDBRANCH 1 30 TORSDOF 6