REMARK Name = BDB060324 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.136 0.712 -1.764 0.00 0.00 +0.085 C ENDROOT BRANCH 1 5 ATOM 2 N LIG 1 2.810 0.612 -0.389 0.00 0.00 -0.327 N ATOM 3 C LIG 1 1.966 -0.507 0.104 0.00 0.00 +0.120 C ATOM 4 C LIG 1 0.465 -0.222 -0.139 0.00 0.00 +0.103 C ATOM 5 N LIG 1 0.101 -0.057 -1.564 0.00 0.00 -0.299 NA ATOM 6 C LIG 1 1.233 0.528 -2.328 0.00 0.00 +0.103 C ATOM 7 C LIG 1 2.203 1.390 -1.490 0.00 0.00 +0.120 C BRANCH 2 11 ATOM 8 C LIG 1 6.900 -0.456 -0.484 0.00 0.00 +0.037 A ATOM 9 C LIG 1 6.222 -0.334 0.728 0.00 0.00 +0.015 A ATOM 10 C LIG 1 4.870 0.026 0.732 0.00 0.00 +0.024 A ATOM 11 C LIG 1 4.165 0.260 -0.462 0.00 0.00 +0.030 A ATOM 12 C LIG 1 4.862 0.101 -1.668 0.00 0.00 +0.024 A ATOM 13 C LIG 1 6.215 -0.261 -1.683 0.00 0.00 +0.015 A BRANCH 8 17 ATOM 14 C LIG 1 9.085 1.031 0.963 0.00 0.00 +0.128 C ATOM 15 N LIG 1 9.243 -0.227 0.271 0.00 0.00 -0.314 N ATOM 16 H LIG 1 10.184 -0.574 0.130 0.00 0.00 +0.149 HD ATOM 17 C LIG 1 8.325 -0.853 -0.537 0.00 0.00 +0.244 C ATOM 18 O LIG 1 8.685 -1.732 -1.315 0.00 0.00 -0.270 OA ENDBRANCH 8 17 ENDBRANCH 2 11 ENDBRANCH 1 5 BRANCH 1 19 ATOM 19 C LIG 1 -2.417 0.020 -1.269 0.00 0.00 +0.021 C BRANCH 19 20 ATOM 20 C LIG 1 -2.779 0.336 0.186 0.00 0.00 +0.054 C BRANCH 20 21 ATOM 21 C LIG 1 -4.120 -0.242 0.573 0.00 0.00 +0.020 A ATOM 22 N LIG 1 -4.194 -1.608 0.704 0.00 0.00 -0.326 N ATOM 23 H LIG 1 -3.376 -2.181 0.532 0.00 0.00 +0.169 HD ATOM 24 C LIG 1 -5.335 -2.306 1.025 0.00 0.00 +0.257 A ATOM 25 O LIG 1 -5.339 -3.529 1.111 0.00 0.00 -0.267 OA ATOM 26 C LIG 1 -6.558 -1.501 1.263 0.00 0.00 +0.051 A ATOM 27 C LIG 1 -6.489 -0.095 1.181 0.00 0.00 +0.010 A ATOM 28 C LIG 1 -7.646 0.666 1.458 0.00 0.00 +0.035 A ATOM 29 C LIG 1 -8.856 -0.008 1.685 0.00 0.00 +0.061 A ATOM 30 C LIG 1 -8.896 -1.397 1.750 0.00 0.00 +0.126 A ATOM 31 F LIG 1 -10.061 -2.009 2.002 0.00 0.00 -0.205 F ATOM 32 C LIG 1 -7.755 -2.155 1.557 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -5.204 0.517 0.799 0.00 0.00 +0.031 A BRANCH 28 34 ATOM 34 N LIG 1 -7.684 2.066 1.316 0.00 0.00 -0.357 N ATOM 35 H LIG 1 -6.816 2.530 1.558 0.00 0.00 +0.142 HD ATOM 36 H LIG 1 -8.476 2.504 1.780 0.00 0.00 +0.142 HD ENDBRANCH 28 34 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 7