REMARK Name = BDB018116 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.038 0.146 0.271 0.00 0.00 +0.216 C ATOM 2 N LIG 1 1.306 -0.150 0.052 0.00 0.00 -0.301 N ATOM 3 C LIG 1 1.818 -0.776 -1.167 0.00 0.00 +0.108 C ATOM 4 C LIG 1 3.239 -1.300 -1.004 0.00 0.00 +0.030 C ATOM 5 C LIG 1 4.202 -0.196 -0.535 0.00 0.00 +0.063 C ATOM 6 C LIG 1 3.550 0.768 0.470 0.00 0.00 +0.030 C ATOM 7 C LIG 1 2.282 0.188 1.087 0.00 0.00 +0.108 C ATOM 8 O LIG 1 -0.427 0.661 1.319 0.00 0.00 -0.276 OA ENDROOT BRANCH 5 9 ATOM 9 C LIG 1 5.449 -0.817 0.087 0.00 0.00 +0.166 C ATOM 10 O LIG 1 5.386 -1.784 0.845 0.00 0.00 -0.292 OA BRANCH 9 11 ATOM 11 C LIG 1 6.787 -0.228 -0.206 0.00 0.00 +0.018 A ATOM 12 C LIG 1 7.911 -1.057 -0.094 0.00 0.00 +0.026 A ATOM 13 C LIG 1 9.186 -0.539 -0.343 0.00 0.00 +0.059 A ATOM 14 C LIG 1 9.346 0.798 -0.722 0.00 0.00 +0.015 A ATOM 15 C LIG 1 8.227 1.625 -0.826 0.00 0.00 +0.001 A ATOM 16 C LIG 1 6.951 1.116 -0.564 0.00 0.00 +0.011 A BRANCH 13 17 ATOM 17 C LIG 1 10.350 -1.444 -0.242 0.00 0.00 +0.337 C ATOM 18 O LIG 1 10.358 -2.570 -0.704 0.00 0.00 -0.245 OA BRANCH 17 19 ATOM 19 O LIG 1 11.379 -0.896 0.436 0.00 0.00 -0.477 OA ATOM 20 H LIG 1 11.168 -0.059 0.891 0.00 0.00 +0.295 HD ENDBRANCH 17 19 ENDBRANCH 13 17 ENDBRANCH 9 11 ENDBRANCH 5 9 BRANCH 1 21 ATOM 21 C LIG 1 -1.004 -0.207 -0.863 0.00 0.00 +0.102 C BRANCH 21 22 ATOM 22 C LIG 1 -2.485 0.243 -0.694 0.00 0.00 -0.020 C ATOM 23 C LIG 1 -3.218 -0.131 -2.005 0.00 0.00 +0.012 C ATOM 24 C LIG 1 -2.566 1.774 -0.539 0.00 0.00 +0.012 C BRANCH 22 25 ATOM 25 C LIG 1 -3.138 -0.518 0.491 0.00 0.00 +0.081 C BRANCH 25 33 ATOM 26 C LIG 1 -7.813 -1.869 -1.016 0.00 0.00 +0.046 C ATOM 27 C LIG 1 -7.978 -0.758 -0.017 0.00 0.00 -0.024 A ATOM 28 C LIG 1 -6.853 -0.172 0.589 0.00 0.00 +0.081 A ATOM 29 C LIG 1 -7.050 0.861 1.514 0.00 0.00 +0.065 A ATOM 30 C LIG 1 -5.857 1.462 2.135 0.00 0.00 +0.259 A ATOM 31 N LIG 1 -4.656 0.936 1.737 0.00 0.00 -0.310 N ATOM 32 H LIG 1 -3.831 1.340 2.161 0.00 0.00 +0.170 HD ATOM 33 C LIG 1 -4.547 -0.076 0.823 0.00 0.00 +0.111 A ATOM 34 O LIG 1 -5.933 2.373 2.950 0.00 0.00 -0.267 OA ATOM 35 C LIG 1 -8.330 1.316 1.845 0.00 0.00 +0.015 A ATOM 36 C LIG 1 -9.439 0.730 1.242 0.00 0.00 +0.001 A ATOM 37 N LIG 1 -5.565 -0.632 0.253 0.00 0.00 -0.233 NA ATOM 38 C LIG 1 -9.265 -0.300 0.316 0.00 0.00 +0.005 A ENDBRANCH 25 33 ENDBRANCH 22 25 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 8