REMARK Name = BDB036389 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.059 -5.006 -1.042 0.00 0.00 +0.132 C ATOM 2 N LIG 1 1.686 -3.603 -1.117 0.00 0.00 -0.301 N ATOM 3 C LIG 1 2.721 -2.663 -1.187 0.00 0.00 +0.247 C ATOM 4 O LIG 1 3.895 -2.930 -1.427 0.00 0.00 -0.270 OA ATOM 5 C LIG 1 2.398 -1.237 -0.963 0.00 0.00 +0.049 A ATOM 6 C LIG 1 1.668 -0.593 -1.963 0.00 0.00 +0.014 A ATOM 7 C LIG 1 1.191 0.692 -1.750 0.00 0.00 +0.011 A ATOM 8 C LIG 1 1.500 1.355 -0.547 0.00 0.00 +0.010 A ATOM 9 C LIG 1 2.345 0.738 0.390 0.00 0.00 +0.058 A ATOM 10 N LIG 1 2.505 1.668 1.399 0.00 0.00 -0.359 N ATOM 11 H LIG 1 3.062 1.549 2.229 0.00 0.00 +0.165 HD ATOM 12 C LIG 1 1.688 2.754 1.213 0.00 0.00 +0.093 A ATOM 13 C LIG 1 1.047 2.594 0.008 0.00 0.00 +0.026 A ATOM 14 C LIG 1 -0.067 3.410 -0.442 0.00 0.00 +0.090 A ATOM 15 N LIG 1 -1.191 2.680 -0.609 0.00 0.00 -0.214 NA ATOM 16 C LIG 1 -2.301 3.290 -1.004 0.00 0.00 +0.216 A ATOM 17 N LIG 1 -2.358 4.602 -1.242 0.00 0.00 -0.222 NA ATOM 18 C LIG 1 -1.216 5.306 -1.070 0.00 0.00 +0.129 A ATOM 19 N LIG 1 -3.467 2.562 -1.203 0.00 0.00 -0.309 N ATOM 20 H LIG 1 -4.199 3.264 -1.256 0.00 0.00 +0.149 HD ATOM 21 C LIG 1 -3.725 1.492 -0.227 0.00 0.00 +0.087 C ATOM 22 C LIG 1 -2.910 0.200 -0.515 0.00 0.00 +0.106 C ATOM 23 N LIG 1 -3.263 -0.910 0.406 0.00 0.00 -0.301 NA ATOM 24 C LIG 1 -4.682 -1.254 0.253 0.00 0.00 +0.084 C ATOM 25 C LIG 1 -5.564 -0.049 0.585 0.00 0.00 +0.017 C ATOM 26 C LIG 1 -2.404 -2.089 0.186 0.00 0.00 +0.084 C ATOM 27 C LIG 1 -1.028 -1.909 0.849 0.00 0.00 +0.017 C ATOM 28 C LIG 1 -0.066 -3.082 0.615 0.00 0.00 +0.020 C ATOM 29 C LIG 1 -5.226 1.157 -0.285 0.00 0.00 +0.025 C ATOM 30 C LIG 1 -0.016 4.760 -0.669 0.00 0.00 +0.099 A ATOM 31 C LIG 1 2.823 -0.587 0.226 0.00 0.00 +0.047 A ATOM 32 C LIG 1 0.274 -3.288 -0.864 0.00 0.00 +0.108 C ENDROOT BRANCH 30 33 ATOM 33 C LIG 1 1.201 5.587 -0.506 0.00 0.00 +0.421 C ATOM 34 F LIG 1 1.540 5.781 0.799 0.00 0.00 -0.166 F ATOM 35 F LIG 1 2.303 5.070 -1.114 0.00 0.00 -0.166 F ATOM 36 F LIG 1 1.061 6.841 -1.026 0.00 0.00 -0.166 F ENDBRANCH 30 33 BRANCH 31 37 ATOM 37 P LIG 1 3.828 -1.457 1.392 0.00 0.00 +0.113 P ATOM 38 O LIG 1 3.410 -2.873 1.707 0.00 0.00 -0.317 OA ATOM 39 C LIG 1 5.545 -1.406 0.847 0.00 0.00 +0.086 C ATOM 40 C LIG 1 3.972 -0.611 2.978 0.00 0.00 +0.086 C ENDBRANCH 31 37 TORSDOF 2