REMARK Name = BDB056711 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.495 0.559 0.530 0.00 0.00 +0.181 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.909 1.123 0.211 0.00 0.00 +0.234 C ATOM 3 N LIG 1 -1.942 0.714 1.042 0.00 0.00 -0.268 N ATOM 4 C LIG 1 -3.296 1.072 0.891 0.00 0.00 +0.062 A ATOM 5 C LIG 1 -4.063 0.536 1.907 0.00 0.00 +0.092 A ATOM 6 N LIG 1 -5.390 0.714 2.009 0.00 0.00 -0.152 NA ATOM 7 N LIG 1 -6.006 1.460 1.054 0.00 0.00 -0.154 NA ATOM 8 C LIG 1 -5.285 2.010 0.036 0.00 0.00 +0.070 A ATOM 9 C LIG 1 -3.232 -0.248 2.892 0.00 0.00 +0.027 C ATOM 10 C LIG 1 -3.240 0.428 4.265 0.00 0.00 +0.019 C ATOM 11 C LIG 1 -3.714 -1.696 2.997 0.00 0.00 +0.019 C ATOM 12 C LIG 1 -3.910 1.832 -0.079 0.00 0.00 +0.050 A ATOM 13 C LIG 1 -1.834 -0.162 2.228 0.00 0.00 +0.126 C ATOM 14 O LIG 1 -1.068 1.906 -0.729 0.00 0.00 -0.274 OA BRANCH 8 15 ATOM 15 C LIG 1 -6.052 2.800 -0.993 0.00 0.00 +0.095 C BRANCH 15 16 ATOM 16 C LIG 1 -6.357 2.011 -2.242 0.00 0.00 -0.006 A ATOM 17 C LIG 1 -5.606 2.205 -3.407 0.00 0.00 +0.130 A ATOM 18 F LIG 1 -4.618 3.111 -3.419 0.00 0.00 -0.205 F ATOM 19 C LIG 1 -5.857 1.475 -4.562 0.00 0.00 +0.077 A ATOM 20 C LIG 1 -6.875 0.532 -4.551 0.00 0.00 +0.126 A ATOM 21 F LIG 1 -7.127 -0.180 -5.657 0.00 0.00 -0.205 F ATOM 22 C LIG 1 -7.637 0.310 -3.408 0.00 0.00 +0.039 A ATOM 23 C LIG 1 -7.378 1.047 -2.251 0.00 0.00 +0.009 A ENDBRANCH 15 16 ENDBRANCH 8 15 ENDBRANCH 1 2 BRANCH 1 30 ATOM 24 C LIG 1 -0.120 -3.429 -1.506 0.00 0.00 +0.025 C ATOM 25 C LIG 1 0.568 -2.350 -0.668 0.00 0.00 +0.065 C ATOM 26 N LIG 1 1.955 -2.767 -0.398 0.00 0.00 -0.311 NA ATOM 27 H LIG 1 2.417 -2.949 -1.290 0.00 0.00 +0.122 HD ATOM 28 C LIG 1 2.699 -1.692 0.288 0.00 0.00 +0.101 C ATOM 29 C LIG 1 2.614 -0.315 -0.436 0.00 0.00 +0.088 C ATOM 30 N LIG 1 1.208 0.119 -0.697 0.00 0.00 -0.287 NA ATOM 31 C LIG 1 0.492 -0.978 -1.390 0.00 0.00 +0.103 C BRANCH 29 32 ATOM 32 C LIG 1 3.459 0.766 0.287 0.00 0.00 +0.128 C BRANCH 32 33 ATOM 33 N LIG 1 4.893 0.530 0.228 0.00 0.00 -0.292 N ATOM 34 C LIG 1 5.626 -0.064 1.238 0.00 0.00 +0.247 C ATOM 35 O LIG 1 5.236 -0.469 2.315 0.00 0.00 -0.270 OA ATOM 36 C LIG 1 7.011 -0.139 0.759 0.00 0.00 +0.043 A ATOM 37 C LIG 1 7.055 0.399 -0.528 0.00 0.00 -0.018 A ATOM 38 C LIG 1 8.252 0.450 -1.221 0.00 0.00 +0.007 A ATOM 39 C LIG 1 9.399 -0.050 -0.590 0.00 0.00 +0.019 A ATOM 40 C LIG 1 9.339 -0.593 0.714 0.00 0.00 +0.053 A ATOM 41 C LIG 1 8.125 -0.641 1.405 0.00 0.00 +0.032 A ATOM 42 C LIG 1 5.692 0.848 -0.944 0.00 0.00 +0.144 C BRANCH 40 43 ATOM 43 C LIG 1 10.533 -1.097 1.329 0.00 0.00 +0.099 C ATOM 44 N LIG 1 11.503 -1.502 1.819 0.00 0.00 -0.191 NA ENDBRANCH 40 43 ENDBRANCH 32 33 ENDBRANCH 29 32 ENDBRANCH 1 30 TORSDOF 7