REMARK Name = BDB012700 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.623 0.171 -0.450 0.00 0.00 +0.153 A ATOM 2 C LIG 1 0.194 -0.340 -1.506 0.00 0.00 +0.044 A ATOM 3 C LIG 1 1.504 -0.017 -1.150 0.00 0.00 +0.071 A ATOM 4 C LIG 1 2.609 -0.332 -1.957 0.00 0.00 +0.031 A ATOM 5 C LIG 1 2.358 -1.008 -3.154 0.00 0.00 +0.040 A ATOM 6 C LIG 1 1.060 -1.346 -3.517 0.00 0.00 +0.124 A ATOM 7 F LIG 1 0.853 -1.995 -4.671 0.00 0.00 -0.205 F ATOM 8 N LIG 1 1.389 0.612 0.067 0.00 0.00 -0.259 N ATOM 9 C LIG 1 -0.034 -1.025 -2.716 0.00 0.00 +0.051 A ATOM 10 N LIG 1 0.121 0.776 0.476 0.00 0.00 -0.155 NA ENDROOT BRANCH 1 11 ATOM 11 N LIG 1 -1.972 0.044 -0.465 0.00 0.00 -0.296 N ATOM 12 H LIG 1 -2.390 -0.431 -1.266 0.00 0.00 +0.154 HD BRANCH 11 14 ATOM 13 C LIG 1 -4.343 0.245 0.189 0.00 0.00 +0.083 A ATOM 14 C LIG 1 -2.970 0.442 0.453 0.00 0.00 +0.065 A ATOM 15 C LIG 1 -2.685 1.066 1.670 0.00 0.00 +0.134 A ATOM 16 N LIG 1 -3.608 1.480 2.580 0.00 0.00 -0.261 NA ATOM 17 C LIG 1 -4.899 1.270 2.280 0.00 0.00 +0.111 A ATOM 18 C LIG 1 -5.313 0.664 1.113 0.00 0.00 +0.036 A BRANCH 13 20 ATOM 19 O LIG 1 -6.060 -0.545 -1.304 0.00 0.00 -0.245 OA ATOM 20 C LIG 1 -4.880 -0.397 -1.041 0.00 0.00 +0.339 C BRANCH 20 21 ATOM 21 O LIG 1 -3.939 -0.840 -1.900 0.00 0.00 -0.477 OA ATOM 22 H LIG 1 -4.481 -1.227 -2.625 0.00 0.00 +0.295 HD ENDBRANCH 20 21 ENDBRANCH 13 20 ENDBRANCH 11 14 ENDBRANCH 1 11 BRANCH 8 23 ATOM 23 C LIG 1 2.472 1.180 0.857 0.00 0.00 +0.177 C BRANCH 23 24 ATOM 24 C LIG 1 3.317 0.115 1.558 0.00 0.00 +0.161 C BRANCH 24 25 ATOM 25 O LIG 1 2.662 -0.347 2.745 0.00 0.00 -0.388 OA ATOM 26 H LIG 1 3.355 -0.740 3.313 0.00 0.00 +0.210 HD ENDBRANCH 24 25 BRANCH 24 27 ATOM 27 C LIG 1 4.680 0.685 1.963 0.00 0.00 +0.189 C BRANCH 27 28 ATOM 28 O LIG 1 5.431 -0.328 2.636 0.00 0.00 -0.392 OA ATOM 29 H LIG 1 5.694 -0.994 1.978 0.00 0.00 +0.210 HD ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 23 24 ENDBRANCH 8 23 TORSDOF 9