REMARK Name = BDB025622 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.070 -2.024 -1.469 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.876 -0.620 -1.383 0.00 0.00 +0.056 A ATOM 3 C LIG 1 -0.011 -0.088 -0.418 0.00 0.00 +0.036 A ATOM 4 C LIG 1 0.647 -0.914 0.513 0.00 0.00 +0.022 A ATOM 5 C LIG 1 0.428 -2.294 0.416 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.020 -3.133 1.281 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.408 -2.846 -0.554 0.00 0.00 +0.064 A ENDROOT BRANCH 1 12 ATOM 8 C LIG 1 -5.097 -4.302 -4.279 0.00 0.00 +0.105 C ATOM 9 N LIG 1 -3.947 -4.558 -3.415 0.00 0.00 -0.302 NA ATOM 10 C LIG 1 -4.069 -3.864 -2.115 0.00 0.00 +0.103 C ATOM 11 C LIG 1 -3.385 -2.480 -2.033 0.00 0.00 +0.120 C ATOM 12 N LIG 1 -1.955 -2.531 -2.443 0.00 0.00 -0.326 N ATOM 13 C LIG 1 -1.558 -3.773 -3.145 0.00 0.00 +0.120 C ATOM 14 C LIG 1 -2.686 -4.203 -4.109 0.00 0.00 +0.103 C ENDBRANCH 1 12 BRANCH 4 15 ATOM 15 C LIG 1 1.528 -0.337 1.538 0.00 0.00 +0.021 A ATOM 16 C LIG 1 1.206 0.792 2.265 0.00 0.00 +0.124 A ATOM 17 N LIG 1 1.995 1.357 3.202 0.00 0.00 -0.222 NA ATOM 18 C LIG 1 3.178 0.776 3.454 0.00 0.00 +0.218 A ATOM 19 N LIG 1 3.585 -0.329 2.811 0.00 0.00 -0.222 NA ATOM 20 C LIG 1 2.760 -0.856 1.879 0.00 0.00 +0.124 A BRANCH 18 21 ATOM 21 N LIG 1 3.987 1.322 4.412 0.00 0.00 -0.300 N ATOM 22 C LIG 1 5.390 0.958 4.500 0.00 0.00 +0.108 C ATOM 23 C LIG 1 6.058 2.205 5.087 0.00 0.00 +0.020 C ATOM 24 C LIG 1 4.928 2.908 5.827 0.00 0.00 +0.020 C ATOM 25 C LIG 1 3.725 2.654 4.922 0.00 0.00 +0.108 C ENDBRANCH 18 21 ENDBRANCH 4 15 BRANCH 2 26 ATOM 26 N LIG 1 -1.542 0.143 -2.363 0.00 0.00 -0.280 N ATOM 27 H LIG 1 -1.917 -0.437 -3.113 0.00 0.00 +0.155 HD ATOM 28 C LIG 1 -1.777 1.469 -2.556 0.00 0.00 +0.250 C ATOM 29 O LIG 1 -2.264 1.864 -3.614 0.00 0.00 -0.270 OA BRANCH 28 30 ATOM 30 C LIG 1 -1.520 2.453 -1.475 0.00 0.00 +0.065 A ATOM 31 C LIG 1 -0.532 3.520 -1.610 0.00 0.00 +0.073 A ATOM 32 C LIG 1 -0.376 4.404 -0.604 0.00 0.00 +0.083 A ATOM 33 C LIG 1 -1.216 4.318 0.616 0.00 0.00 +0.249 A ATOM 34 O LIG 1 -1.090 5.117 1.533 0.00 0.00 -0.268 OA ATOM 35 N LIG 1 -2.128 3.291 0.641 0.00 0.00 -0.328 N ATOM 36 H LIG 1 -2.707 3.247 1.472 0.00 0.00 +0.168 HD ATOM 37 C LIG 1 -2.295 2.388 -0.379 0.00 0.00 +0.099 A BRANCH 31 38 ATOM 38 C LIG 1 0.308 3.569 -2.850 0.00 0.00 +0.418 C ATOM 39 F LIG 1 0.870 2.364 -3.127 0.00 0.00 -0.166 F ATOM 40 F LIG 1 1.342 4.445 -2.727 0.00 0.00 -0.166 F ATOM 41 F LIG 1 -0.392 3.958 -3.940 0.00 0.00 -0.166 F ENDBRANCH 31 38 ENDBRANCH 28 30 ENDBRANCH 2 26 TORSDOF 6