REMARK Name = BDB034610 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.335 -2.769 0.783 0.00 0.00 +0.267 C ATOM 2 N LIG 1 2.131 -1.632 0.826 0.00 0.00 -0.280 N ATOM 3 H LIG 1 1.771 -0.803 0.371 0.00 0.00 +0.155 HD ATOM 4 O LIG 1 1.625 -3.883 1.204 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 9 ATOM 5 C LIG 1 -1.960 -1.205 -0.167 0.00 0.00 -0.029 A ATOM 6 C LIG 1 -2.342 -2.121 -1.158 0.00 0.00 +0.028 A ATOM 7 C LIG 1 -1.561 -3.248 -1.438 0.00 0.00 +0.046 A ATOM 8 N LIG 1 -0.388 -3.443 -0.787 0.00 0.00 -0.247 NA ATOM 9 C LIG 1 -0.005 -2.539 0.149 0.00 0.00 +0.126 A ATOM 10 C LIG 1 -0.758 -1.426 0.501 0.00 0.00 +0.038 A BRANCH 7 11 ATOM 11 C LIG 1 -1.948 -4.300 -2.459 0.00 0.00 +0.038 C ATOM 12 C LIG 1 -3.377 -4.561 -2.867 0.00 0.00 +0.010 C ATOM 13 C LIG 1 -2.428 -3.915 -3.836 0.00 0.00 +0.010 C ENDBRANCH 7 11 BRANCH 5 14 ATOM 14 C LIG 1 -2.782 0.036 0.117 0.00 0.00 +0.120 C BRANCH 14 16 ATOM 15 C LIG 1 -5.060 1.029 0.254 0.00 0.00 +0.074 C ATOM 16 N LIG 1 -4.231 -0.202 0.174 0.00 0.00 -0.293 NA ATOM 17 C LIG 1 -4.572 -1.121 1.294 0.00 0.00 +0.100 C ATOM 18 C LIG 1 -6.015 -1.015 1.848 0.00 0.00 +0.099 C ATOM 19 N LIG 1 -6.968 -0.629 0.808 0.00 0.00 -0.303 NA ATOM 20 C LIG 1 -8.344 -0.629 1.294 0.00 0.00 +0.105 C ATOM 21 C LIG 1 -6.595 0.675 0.226 0.00 0.00 +0.103 C BRANCH 15 23 ATOM 22 C LIG 1 -4.803 1.669 -2.244 0.00 0.00 +0.009 C ATOM 23 C LIG 1 -4.723 2.142 -0.790 0.00 0.00 +0.001 C ATOM 24 C LIG 1 -5.595 3.392 -0.604 0.00 0.00 +0.009 C ENDBRANCH 15 23 ENDBRANCH 14 16 ENDBRANCH 5 14 ENDBRANCH 1 9 BRANCH 2 25 ATOM 25 C LIG 1 3.432 -1.506 1.350 0.00 0.00 +0.034 A ATOM 26 C LIG 1 3.990 -0.216 1.338 0.00 0.00 +0.027 A ATOM 27 C LIG 1 5.288 0.070 1.814 0.00 0.00 -0.039 A ATOM 28 C LIG 1 6.017 -1.037 2.288 0.00 0.00 +0.004 A ATOM 29 C LIG 1 5.474 -2.327 2.317 0.00 0.00 +0.002 A ATOM 30 C LIG 1 4.181 -2.560 1.856 0.00 0.00 +0.023 A BRANCH 27 31 ATOM 31 C LIG 1 5.903 1.575 1.803 0.00 0.00 +0.013 C ATOM 32 C LIG 1 6.704 1.984 3.096 0.00 0.00 +0.087 C ATOM 33 C LIG 1 5.416 2.641 3.634 0.00 0.00 +0.251 C ATOM 34 F LIG 1 4.647 1.864 4.430 0.00 0.00 -0.206 F ATOM 35 F LIG 1 5.596 3.810 4.288 0.00 0.00 -0.206 F ATOM 36 C LIG 1 4.946 2.763 2.174 0.00 0.00 +0.087 C BRANCH 31 37 ATOM 37 C LIG 1 6.717 1.813 0.513 0.00 0.00 +0.088 C BRANCH 37 38 ATOM 38 C LIG 1 5.900 2.023 -0.721 0.00 0.00 +0.134 A ATOM 39 N LIG 1 6.431 2.320 -1.954 0.00 0.00 -0.320 N ATOM 40 C LIG 1 7.823 2.452 -2.300 0.00 0.00 +0.151 C ATOM 41 C LIG 1 5.375 2.474 -2.797 0.00 0.00 +0.224 A ATOM 42 N LIG 1 4.258 2.269 -2.140 0.00 0.00 -0.138 NA ATOM 43 N LIG 1 4.587 2.013 -0.831 0.00 0.00 -0.135 NA ENDBRANCH 37 38 ENDBRANCH 31 37 ENDBRANCH 27 31 ENDBRANCH 2 25 TORSDOF 9