REMARK Name = BDB064372 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.131 -0.540 0.749 0.00 0.00 +0.028 A ATOM 2 C LIG 1 -0.811 -0.616 0.226 0.00 0.00 +0.140 A ATOM 3 O LIG 1 -0.523 -1.845 -0.295 0.00 0.00 -0.489 OA ATOM 4 C LIG 1 0.752 -2.118 -0.844 0.00 0.00 +0.248 C ATOM 5 C LIG 1 1.138 -1.110 -1.910 0.00 0.00 +0.149 C ATOM 6 N LIG 1 1.891 -0.021 -1.305 0.00 0.00 -0.287 N ATOM 7 C LIG 1 1.422 0.677 -0.196 0.00 0.00 +0.251 C ATOM 8 O LIG 1 2.123 1.506 0.386 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 0.017 0.513 0.300 0.00 0.00 +0.079 A ATOM 10 C LIG 1 -0.497 1.686 0.908 0.00 0.00 +0.022 A ATOM 11 C LIG 1 -1.796 1.768 1.427 0.00 0.00 -0.026 A ATOM 12 C LIG 1 -2.605 0.639 1.346 0.00 0.00 +0.017 A ENDROOT BRANCH 6 13 ATOM 13 C LIG 1 3.123 0.428 -1.993 0.00 0.00 +0.114 C ATOM 14 C LIG 1 4.398 0.300 -1.188 0.00 0.00 +0.018 A ATOM 15 C LIG 1 5.426 1.236 -1.366 0.00 0.00 +0.126 A ATOM 16 C LIG 1 6.612 1.128 -0.642 0.00 0.00 +0.049 A ATOM 17 C LIG 1 6.798 0.067 0.243 0.00 0.00 +0.049 A ATOM 18 C LIG 1 5.799 -0.889 0.419 0.00 0.00 +0.121 A ATOM 19 O LIG 1 5.350 2.307 -2.216 0.00 0.00 -0.492 OA ATOM 20 C LIG 1 4.301 2.244 -3.182 0.00 0.00 +0.231 C ATOM 21 C LIG 1 4.609 -0.776 -0.304 0.00 0.00 +0.054 A ATOM 22 C LIG 1 2.975 1.841 -2.565 0.00 0.00 +0.068 C BRANCH 18 23 ATOM 23 O LIG 1 6.107 -1.882 1.308 0.00 0.00 -0.495 OA ATOM 24 C LIG 1 5.054 -2.768 1.668 0.00 0.00 +0.277 C ENDBRANCH 18 23 ENDBRANCH 6 13 BRANCH 1 28 ATOM 25 N LIG 1 -4.387 -3.288 1.292 0.00 0.00 -0.271 N ATOM 26 N LIG 1 -4.358 -3.401 -0.046 0.00 0.00 -0.167 NA ATOM 27 C LIG 1 -3.528 -2.416 -0.453 0.00 0.00 +0.173 A ATOM 28 C LIG 1 -3.044 -1.673 0.667 0.00 0.00 +0.035 A ATOM 29 C LIG 1 -3.630 -2.260 1.769 0.00 0.00 +0.117 A BRANCH 27 30 ATOM 30 C LIG 1 -3.208 -2.186 -1.907 0.00 0.00 +0.437 C ATOM 31 F LIG 1 -2.870 -0.892 -2.170 0.00 0.00 -0.164 F ATOM 32 F LIG 1 -2.163 -2.947 -2.337 0.00 0.00 -0.164 F ATOM 33 F LIG 1 -4.255 -2.470 -2.731 0.00 0.00 -0.164 F ENDBRANCH 27 30 BRANCH 25 35 ATOM 34 C LIG 1 -4.453 -5.519 2.333 0.00 0.00 +0.029 C ATOM 35 C LIG 1 -5.183 -4.213 2.076 0.00 0.00 +0.140 C ENDBRANCH 25 35 ENDBRANCH 1 28 BRANCH 11 36 ATOM 36 C LIG 1 -2.300 3.043 2.056 0.00 0.00 +0.158 C BRANCH 36 37 ATOM 37 N LIG 1 -2.427 4.121 1.086 0.00 0.00 -0.330 N ATOM 38 C LIG 1 -3.444 4.311 0.176 0.00 0.00 +0.107 A ATOM 39 C LIG 1 -4.589 3.385 -0.009 0.00 0.00 +0.086 C ATOM 40 N LIG 1 -3.248 5.422 -0.508 0.00 0.00 -0.241 NA ATOM 41 C LIG 1 -2.084 5.960 -0.030 0.00 0.00 +0.130 A ATOM 42 C LIG 1 -1.559 5.175 0.965 0.00 0.00 +0.107 A ENDBRANCH 36 37 ENDBRANCH 11 36 TORSDOF 7