REMARK Name = BDB020175 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.345 1.094 0.137 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -0.814 -0.151 -0.301 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -2.191 -0.413 -0.390 0.00 0.00 -0.013 A ATOM 4 C LIG 1 -3.083 0.621 -0.051 0.00 0.00 +0.013 A ATOM 5 C LIG 1 -2.631 1.887 0.358 0.00 0.00 -0.029 A ATOM 6 C LIG 1 -1.252 2.112 0.448 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -2.690 -1.727 -0.843 0.00 0.00 +0.024 A ATOM 8 C LIG 1 -2.249 -2.947 -0.286 0.00 0.00 +0.137 A ATOM 9 C LIG 1 -2.693 -4.178 -0.779 0.00 0.00 +0.084 A ATOM 10 C LIG 1 -3.628 -4.201 -1.804 0.00 0.00 +0.127 A ATOM 11 F LIG 1 -4.067 -5.378 -2.268 0.00 0.00 -0.205 F ATOM 12 C LIG 1 -4.114 -3.023 -2.354 0.00 0.00 +0.039 A ATOM 13 C LIG 1 -3.643 -1.795 -1.880 0.00 0.00 +0.015 A BRANCH 8 14 ATOM 14 O LIG 1 -1.310 -2.963 0.716 0.00 0.00 -0.434 OA BRANCH 14 15 ATOM 15 C LIG 1 -1.945 -3.068 1.987 0.00 0.00 +0.541 C ATOM 16 F LIG 1 -0.980 -3.398 2.883 0.00 0.00 -0.166 F ATOM 17 F LIG 1 -2.409 -1.849 2.352 0.00 0.00 -0.166 F ENDBRANCH 14 15 ENDBRANCH 8 14 ENDBRANCH 3 7 BRANCH 1 20 ATOM 18 N LIG 1 1.904 0.310 0.599 0.00 0.00 -0.304 N ATOM 19 H LIG 1 1.469 -0.549 0.900 0.00 0.00 +0.150 HD ATOM 20 C LIG 1 1.109 1.380 0.258 0.00 0.00 +0.245 C ATOM 21 O LIG 1 1.520 2.521 0.085 0.00 0.00 -0.270 OA BRANCH 18 22 ATOM 22 C LIG 1 3.321 0.459 0.855 0.00 0.00 +0.107 C BRANCH 22 29 ATOM 23 C LIG 1 6.644 -1.836 -2.180 0.00 0.00 +0.047 C ATOM 24 C LIG 1 5.686 -1.893 -1.030 0.00 0.00 -0.015 A ATOM 25 C LIG 1 5.432 -3.103 -0.383 0.00 0.00 +0.126 A ATOM 26 F LIG 1 6.070 -4.216 -0.773 0.00 0.00 -0.205 F ATOM 27 C LIG 1 4.522 -3.184 0.665 0.00 0.00 +0.039 A ATOM 28 C LIG 1 3.840 -2.040 1.079 0.00 0.00 +0.008 A ATOM 29 C LIG 1 4.063 -0.805 0.445 0.00 0.00 -0.027 A ATOM 30 C LIG 1 4.986 -0.750 -0.617 0.00 0.00 +0.011 A ENDBRANCH 22 29 BRANCH 22 31 ATOM 31 C LIG 1 3.537 0.757 2.321 0.00 0.00 +0.014 C ATOM 32 C LIG 1 3.534 2.183 2.820 0.00 0.00 +0.006 C ATOM 33 C LIG 1 4.819 1.404 2.792 0.00 0.00 +0.006 C ENDBRANCH 22 31 ENDBRANCH 18 22 ENDBRANCH 1 20 BRANCH 5 34 ATOM 34 C LIG 1 -3.611 2.996 0.671 0.00 0.00 +0.144 C BRANCH 34 35 ATOM 35 N LIG 1 -4.235 3.524 -0.524 0.00 0.00 -0.278 N ATOM 36 C LIG 1 -5.330 3.006 -1.146 0.00 0.00 +0.278 C ATOM 37 N LIG 1 -6.215 2.187 -0.724 0.00 0.00 -0.253 NA ATOM 38 H LIG 1 -6.028 1.955 0.249 0.00 0.00 +0.191 HD ATOM 39 O LIG 1 -5.429 3.480 -2.419 0.00 0.00 -0.464 OA ATOM 40 C LIG 1 -4.439 4.503 -2.585 0.00 0.00 +0.251 C ATOM 41 C LIG 1 -3.432 4.261 -1.476 0.00 0.00 +0.151 C ENDBRANCH 34 35 ENDBRANCH 5 34 TORSDOF 9