REMARK Name = BDB034569 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.603 0.942 0.756 0.00 0.00 -0.280 N ATOM 2 H LIG 1 0.701 0.022 0.330 0.00 0.00 +0.155 HD ATOM 3 C LIG 1 -0.678 1.208 1.203 0.00 0.00 +0.267 C ATOM 4 O LIG 1 -1.078 2.226 1.754 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 4.156 1.966 0.281 0.00 0.00 -0.032 A ATOM 6 C LIG 1 2.936 1.248 0.285 0.00 0.00 +0.027 A ATOM 7 C LIG 1 1.741 1.764 0.819 0.00 0.00 +0.034 A ATOM 8 C LIG 1 1.742 3.038 1.373 0.00 0.00 +0.023 A ATOM 9 C LIG 1 2.918 3.782 1.395 0.00 0.00 +0.002 A ATOM 10 C LIG 1 4.095 3.253 0.861 0.00 0.00 +0.004 A BRANCH 5 11 ATOM 11 C LIG 1 5.581 1.389 -0.343 0.00 0.00 +0.080 C ATOM 12 C LIG 1 6.360 2.416 -1.219 0.00 0.00 +0.177 C ATOM 13 O LIG 1 7.256 2.721 -0.118 0.00 0.00 -0.378 OA ATOM 14 C LIG 1 6.808 1.544 0.597 0.00 0.00 +0.177 C BRANCH 11 15 ATOM 15 C LIG 1 5.422 -0.017 -0.939 0.00 0.00 +0.248 C ATOM 16 F LIG 1 5.000 -0.843 0.068 0.00 0.00 -0.236 F BRANCH 15 19 ATOM 17 C LIG 1 7.255 -2.339 0.126 0.00 0.00 +0.151 C ATOM 18 N LIG 1 7.386 -1.639 -1.125 0.00 0.00 -0.318 N ATOM 19 C LIG 1 6.605 -0.624 -1.619 0.00 0.00 +0.168 A ATOM 20 N LIG 1 7.042 -0.318 -2.826 0.00 0.00 -0.132 NA ATOM 21 N LIG 1 8.132 -1.102 -3.104 0.00 0.00 -0.138 NA ATOM 22 C LIG 1 8.326 -1.892 -2.076 0.00 0.00 +0.224 A ENDBRANCH 15 19 ENDBRANCH 11 15 ENDBRANCH 5 11 ENDBRANCH 1 7 BRANCH 3 23 ATOM 23 C LIG 1 -1.623 0.070 0.945 0.00 0.00 +0.126 A ATOM 24 N LIG 1 -1.079 -1.020 0.330 0.00 0.00 -0.247 NA ATOM 25 C LIG 1 -1.896 -2.068 0.067 0.00 0.00 +0.046 A ATOM 26 C LIG 1 -3.245 -2.037 0.429 0.00 0.00 +0.028 A ATOM 27 C LIG 1 -3.792 -0.910 1.059 0.00 0.00 -0.029 A ATOM 28 C LIG 1 -2.952 0.169 1.325 0.00 0.00 +0.038 A BRANCH 25 29 ATOM 29 C LIG 1 -1.310 -3.283 -0.613 0.00 0.00 +0.038 C ATOM 30 C LIG 1 -0.405 -3.112 -1.812 0.00 0.00 +0.010 C ATOM 31 C LIG 1 -1.781 -3.678 -1.995 0.00 0.00 +0.010 C ENDBRANCH 25 29 BRANCH 27 32 ATOM 32 C LIG 1 -5.252 -0.874 1.453 0.00 0.00 +0.119 C BRANCH 32 33 ATOM 33 N LIG 1 -6.149 -1.150 0.318 0.00 0.00 -0.298 NA ATOM 34 C LIG 1 -6.221 -0.004 -0.616 0.00 0.00 +0.091 C ATOM 35 C LIG 1 -7.333 0.857 -0.070 0.00 0.00 -0.015 C ATOM 36 C LIG 1 -8.020 1.873 -0.956 0.00 0.00 +0.009 C ATOM 37 C LIG 1 -7.118 2.339 0.149 0.00 0.00 +0.009 C ATOM 38 C LIG 1 -8.119 0.064 0.933 0.00 0.00 +0.023 C ATOM 39 C LIG 1 -7.541 -1.339 0.775 0.00 0.00 +0.085 C ENDBRANCH 32 33 ENDBRANCH 27 32 ENDBRANCH 3 23 TORSDOF 8