REMARK Name = BDB022736 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.122 -0.790 1.204 0.00 0.00 +0.101 A ATOM 2 C LIG 1 1.366 0.615 1.119 0.00 0.00 +0.080 A ATOM 3 C LIG 1 0.168 1.184 1.510 0.00 0.00 +0.122 A ATOM 4 N LIG 1 -0.680 0.161 1.808 0.00 0.00 -0.266 N ATOM 5 N LIG 1 -0.117 -1.053 1.657 0.00 0.00 -0.173 NA ENDROOT BRANCH 2 6 ATOM 6 C LIG 1 2.530 1.383 0.705 0.00 0.00 +0.248 C ATOM 7 N LIG 1 3.731 0.713 0.736 0.00 0.00 -0.307 N ATOM 8 H LIG 1 3.753 -0.153 1.276 0.00 0.00 +0.149 HD ATOM 9 O LIG 1 2.455 2.562 0.371 0.00 0.00 -0.270 OA BRANCH 7 10 ATOM 10 C LIG 1 4.970 1.425 0.541 0.00 0.00 +0.145 C BRANCH 10 11 ATOM 11 C LIG 1 6.125 0.486 0.315 0.00 0.00 +0.030 A ATOM 12 C LIG 1 6.179 -0.555 -0.640 0.00 0.00 +0.076 A ATOM 13 C LIG 1 7.286 -1.439 -0.634 0.00 0.00 +0.028 A ATOM 14 C LIG 1 8.347 -1.273 0.256 0.00 0.00 +0.005 A ATOM 15 C LIG 1 8.320 -0.224 1.161 0.00 0.00 +0.039 A ATOM 16 C LIG 1 7.224 0.632 1.184 0.00 0.00 +0.130 A ATOM 17 F LIG 1 7.229 1.621 2.091 0.00 0.00 -0.205 F BRANCH 12 18 ATOM 18 N LIG 1 5.182 -0.798 -1.629 0.00 0.00 -0.200 N ATOM 19 N LIG 1 5.106 -1.997 -2.264 0.00 0.00 -0.039 NA ATOM 20 N LIG 1 4.071 -1.921 -3.086 0.00 0.00 -0.023 NA ATOM 21 N LIG 1 3.500 -0.682 -3.038 0.00 0.00 -0.116 NA ATOM 22 C LIG 1 4.205 0.003 -2.165 0.00 0.00 +0.250 A ENDBRANCH 12 18 ENDBRANCH 10 11 ENDBRANCH 7 10 ENDBRANCH 2 6 BRANCH 1 23 ATOM 23 C LIG 1 2.017 -1.934 0.829 0.00 0.00 +0.217 C BRANCH 23 25 ATOM 24 C LIG 1 4.024 -3.062 1.333 0.00 0.00 +0.194 C ATOM 25 O LIG 1 3.298 -1.845 1.477 0.00 0.00 -0.377 OA ENDBRANCH 23 25 ENDBRANCH 1 23 BRANCH 4 26 ATOM 26 C LIG 1 -2.045 0.278 2.303 0.00 0.00 +0.178 C BRANCH 26 27 ATOM 27 C LIG 1 -3.017 0.582 1.190 0.00 0.00 -0.026 A ATOM 28 C LIG 1 -3.539 1.872 1.027 0.00 0.00 +0.006 A ATOM 29 C LIG 1 -4.434 2.149 -0.010 0.00 0.00 +0.006 A ATOM 30 C LIG 1 -4.822 1.143 -0.905 0.00 0.00 -0.028 A ATOM 31 C LIG 1 -4.300 -0.146 -0.740 0.00 0.00 +0.006 A ATOM 32 C LIG 1 -3.404 -0.423 0.294 0.00 0.00 +0.006 A BRANCH 30 33 ATOM 33 C LIG 1 -5.799 1.433 -2.023 0.00 0.00 +0.160 C BRANCH 33 34 ATOM 34 N LIG 1 -7.146 0.947 -1.732 0.00 0.00 -0.311 N ATOM 35 C LIG 1 -7.548 -0.270 -2.280 0.00 0.00 +0.252 A ATOM 36 O LIG 1 -6.862 -0.976 -3.015 0.00 0.00 -0.268 OA ATOM 37 C LIG 1 -8.925 -0.719 -1.932 0.00 0.00 +0.070 A ATOM 38 C LIG 1 -9.697 0.026 -1.130 0.00 0.00 +0.007 A ATOM 39 C LIG 1 -9.206 1.268 -0.594 0.00 0.00 +0.018 A ATOM 40 C LIG 1 -7.972 1.687 -0.900 0.00 0.00 +0.089 A ENDBRANCH 33 34 ENDBRANCH 30 33 ENDBRANCH 26 27 ENDBRANCH 4 26 TORSDOF 10