REMARK Name = BDB036240 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.677 1.578 1.540 0.00 0.00 +0.086 A ATOM 2 N LIG 1 -2.558 0.682 0.975 0.00 0.00 -0.230 NA ATOM 3 C LIG 1 -1.815 -0.209 0.345 0.00 0.00 +0.151 A ATOM 4 N LIG 1 -0.471 0.067 0.497 0.00 0.00 -0.271 N ATOM 5 C LIG 1 0.548 -0.737 -0.055 0.00 0.00 +0.202 A ATOM 6 N LIG 1 0.223 -1.783 -0.765 0.00 0.00 -0.223 NA ATOM 7 C LIG 1 -1.118 -2.059 -0.939 0.00 0.00 +0.128 A ATOM 8 C LIG 1 -2.154 -1.357 -0.430 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -0.379 1.214 1.246 0.00 0.00 +0.121 A ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 -3.475 -1.792 -0.746 0.00 0.00 +0.074 A ATOM 11 N LIG 1 -4.461 -1.922 0.208 0.00 0.00 -0.266 N ATOM 12 C LIG 1 -4.383 -1.731 1.639 0.00 0.00 +0.173 C ATOM 13 N LIG 1 -5.638 -2.352 -0.301 0.00 0.00 -0.176 NA ATOM 14 C LIG 1 -5.405 -2.494 -1.609 0.00 0.00 +0.061 A ATOM 15 C LIG 1 -6.486 -2.949 -2.514 0.00 0.00 +0.067 C ATOM 16 C LIG 1 -4.073 -2.169 -1.935 0.00 0.00 +0.052 A ENDBRANCH 8 10 BRANCH 5 17 ATOM 17 N LIG 1 1.862 -0.387 0.172 0.00 0.00 -0.310 N ATOM 18 H LIG 1 2.048 0.198 0.979 0.00 0.00 +0.149 HD BRANCH 17 19 ATOM 19 C LIG 1 2.946 -1.302 -0.134 0.00 0.00 +0.143 C BRANCH 19 20 ATOM 20 C LIG 1 4.257 -0.576 -0.039 0.00 0.00 +0.012 A ATOM 21 C LIG 1 4.632 0.403 -0.956 0.00 0.00 +0.005 A ATOM 22 C LIG 1 3.889 0.964 -2.110 0.00 0.00 +0.080 C ATOM 23 C LIG 1 5.025 1.734 -2.784 0.00 0.00 +0.234 C ATOM 24 O LIG 1 6.048 2.022 -1.803 0.00 0.00 -0.491 OA ATOM 25 C LIG 1 5.840 1.078 -0.831 0.00 0.00 +0.124 A ATOM 26 C LIG 1 6.723 0.823 0.198 0.00 0.00 +0.049 A ATOM 27 C LIG 1 6.373 -0.159 1.125 0.00 0.00 +0.042 A ATOM 28 C LIG 1 5.156 -0.844 1.000 0.00 0.00 +0.129 A ATOM 29 F LIG 1 4.850 -1.770 1.921 0.00 0.00 -0.205 F ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 5 17 BRANCH 1 30 ATOM 30 C LIG 1 -2.178 2.748 2.321 0.00 0.00 +0.216 C BRANCH 30 32 ATOM 31 C LIG 1 -1.625 4.476 3.823 0.00 0.00 +0.194 C ATOM 32 O LIG 1 -1.135 3.365 3.085 0.00 0.00 -0.377 OA ENDBRANCH 30 32 ENDBRANCH 1 30 TORSDOF 6