REMARK Name = BDB053756 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.220 -0.031 0.096 0.00 0.00 +0.125 A ATOM 2 C LIG 1 -0.021 1.303 0.524 0.00 0.00 +0.105 A ATOM 3 C LIG 1 -1.253 1.958 0.520 0.00 0.00 +0.076 A ATOM 4 C LIG 1 -1.314 3.326 0.834 0.00 0.00 +0.030 A ATOM 5 C LIG 1 -0.125 3.948 1.198 0.00 0.00 +0.022 A ATOM 6 C LIG 1 1.044 3.209 1.208 0.00 0.00 +0.111 A ATOM 7 N LIG 1 -2.207 1.036 0.090 0.00 0.00 -0.278 N ATOM 8 N LIG 1 1.142 1.911 0.873 0.00 0.00 -0.253 NA ATOM 9 C LIG 1 -1.587 -0.205 -0.073 0.00 0.00 +0.221 A ENDROOT BRANCH 1 16 ATOM 10 C LIG 1 4.353 -1.302 -1.115 0.00 0.00 +0.071 C ATOM 11 N LIG 1 4.383 -0.380 -2.277 0.00 0.00 -0.310 NA ATOM 12 H LIG 1 4.150 -0.921 -3.110 0.00 0.00 +0.122 HD ATOM 13 C LIG 1 3.369 0.681 -2.127 0.00 0.00 +0.100 C ATOM 14 C LIG 1 1.951 0.137 -1.888 0.00 0.00 +0.123 C ATOM 15 N LIG 1 1.913 -0.830 -0.787 0.00 0.00 -0.295 N ATOM 16 C LIG 1 0.772 -1.087 -0.024 0.00 0.00 +0.254 C ATOM 17 O LIG 1 0.606 -2.167 0.542 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 2.935 -1.873 -0.856 0.00 0.00 +0.126 C BRANCH 10 19 ATOM 19 C LIG 1 4.930 -0.666 0.170 0.00 0.00 +0.020 C BRANCH 19 20 ATOM 20 C LIG 1 6.366 -0.157 -0.003 0.00 0.00 +0.001 C BRANCH 20 22 ATOM 21 C LIG 1 8.347 0.889 1.152 0.00 0.00 +0.004 C ATOM 22 C LIG 1 6.924 0.379 1.316 0.00 0.00 -0.003 C ENDBRANCH 20 22 ENDBRANCH 19 20 ENDBRANCH 10 19 ENDBRANCH 1 16 BRANCH 7 23 ATOM 23 C LIG 1 -3.564 1.353 -0.199 0.00 0.00 +0.050 A ATOM 24 C LIG 1 -4.140 0.908 -1.394 0.00 0.00 +0.026 A ATOM 25 C LIG 1 -5.466 1.228 -1.688 0.00 0.00 +0.002 A ATOM 26 C LIG 1 -6.218 1.988 -0.793 0.00 0.00 +0.000 A ATOM 27 C LIG 1 -5.646 2.431 0.399 0.00 0.00 +0.002 A ATOM 28 C LIG 1 -4.319 2.118 0.699 0.00 0.00 +0.026 A ENDBRANCH 7 23 BRANCH 9 29 ATOM 29 O LIG 1 -2.224 -1.350 -0.360 0.00 0.00 -0.438 OA BRANCH 29 30 ATOM 30 C LIG 1 -3.328 -1.802 0.339 0.00 0.00 +0.136 A ATOM 31 C LIG 1 -4.341 -2.405 -0.439 0.00 0.00 -0.008 A ATOM 32 C LIG 1 -4.216 -2.604 -1.925 0.00 0.00 +0.047 C ATOM 33 C LIG 1 -5.515 -2.852 0.184 0.00 0.00 +0.007 A ATOM 34 C LIG 1 -5.677 -2.731 1.559 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -4.650 -2.194 2.332 0.00 0.00 +0.007 A ATOM 36 C LIG 1 -3.452 -1.752 1.743 0.00 0.00 -0.008 A ATOM 37 C LIG 1 -2.364 -1.271 2.662 0.00 0.00 +0.047 C ENDBRANCH 29 30 ENDBRANCH 9 29 TORSDOF 7