REMARK Name = BDB034617 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.364 0.896 -0.392 0.00 0.00 +0.267 C ATOM 2 N LIG 1 1.581 0.350 -0.769 0.00 0.00 -0.280 N ATOM 3 H LIG 1 1.623 -0.663 -0.667 0.00 0.00 +0.155 HD ATOM 4 O LIG 1 0.032 2.074 -0.441 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 9 ATOM 5 C LIG 1 -2.792 -0.817 0.761 0.00 0.00 -0.029 A ATOM 6 C LIG 1 -2.289 -2.119 0.874 0.00 0.00 +0.028 A ATOM 7 C LIG 1 -0.947 -2.395 0.592 0.00 0.00 +0.046 A ATOM 8 N LIG 1 -0.102 -1.412 0.198 0.00 0.00 -0.247 NA ATOM 9 C LIG 1 -0.605 -0.147 0.086 0.00 0.00 +0.126 A ATOM 10 C LIG 1 -1.922 0.191 0.346 0.00 0.00 +0.038 A BRANCH 7 11 ATOM 11 C LIG 1 -0.428 -3.809 0.719 0.00 0.00 +0.038 C ATOM 12 C LIG 1 -0.563 -4.748 -0.461 0.00 0.00 +0.010 C ATOM 13 C LIG 1 0.793 -4.266 -0.046 0.00 0.00 +0.010 C ENDBRANCH 7 11 BRANCH 5 14 ATOM 14 C LIG 1 -4.266 -0.545 1.006 0.00 0.00 +0.120 C BRANCH 14 16 ATOM 15 C LIG 1 -5.960 1.135 1.701 0.00 0.00 +0.074 C ATOM 16 N LIG 1 -4.529 0.717 1.717 0.00 0.00 -0.293 NA ATOM 17 C LIG 1 -4.022 0.677 3.113 0.00 0.00 +0.100 C ATOM 18 C LIG 1 -5.088 0.796 4.226 0.00 0.00 +0.099 C ATOM 19 N LIG 1 -6.313 0.020 3.994 0.00 0.00 -0.303 NA ATOM 20 C LIG 1 -6.138 -1.392 4.315 0.00 0.00 +0.105 C ATOM 21 C LIG 1 -6.835 0.227 2.626 0.00 0.00 +0.103 C BRANCH 15 23 ATOM 22 C LIG 1 -8.004 1.853 0.312 0.00 0.00 +0.009 C ATOM 23 C LIG 1 -6.572 1.298 0.271 0.00 0.00 +0.001 C ATOM 24 C LIG 1 -5.721 2.231 -0.605 0.00 0.00 +0.009 C ENDBRANCH 15 23 ENDBRANCH 14 16 ENDBRANCH 5 14 ENDBRANCH 1 9 BRANCH 2 25 ATOM 25 C LIG 1 2.692 1.003 -1.330 0.00 0.00 +0.034 A ATOM 26 C LIG 1 3.761 0.199 -1.758 0.00 0.00 +0.027 A ATOM 27 C LIG 1 4.915 0.730 -2.379 0.00 0.00 -0.032 A ATOM 28 C LIG 1 4.957 2.132 -2.513 0.00 0.00 +0.004 A ATOM 29 C LIG 1 3.910 2.946 -2.075 0.00 0.00 +0.002 A ATOM 30 C LIG 1 2.777 2.382 -1.492 0.00 0.00 +0.023 A BRANCH 27 31 ATOM 31 C LIG 1 6.110 -0.208 -2.898 0.00 0.00 +0.080 C ATOM 32 C LIG 1 5.709 -1.510 -3.639 0.00 0.00 +0.177 C ATOM 33 O LIG 1 6.703 -1.270 -4.665 0.00 0.00 -0.378 OA ATOM 34 C LIG 1 6.776 0.124 -4.260 0.00 0.00 +0.177 C BRANCH 31 35 ATOM 35 C LIG 1 7.129 -0.513 -1.794 0.00 0.00 +0.248 C ATOM 36 F LIG 1 6.484 -1.242 -0.834 0.00 0.00 -0.236 F BRANCH 35 37 ATOM 37 C LIG 1 7.753 0.718 -1.224 0.00 0.00 +0.168 A ATOM 38 N LIG 1 7.676 1.124 0.086 0.00 0.00 -0.318 N ATOM 39 C LIG 1 7.043 0.446 1.188 0.00 0.00 +0.151 C ATOM 40 C LIG 1 8.324 2.320 0.149 0.00 0.00 +0.224 A ATOM 41 N LIG 1 8.821 2.616 -1.030 0.00 0.00 -0.138 NA ATOM 42 N LIG 1 8.459 1.612 -1.896 0.00 0.00 -0.132 NA ENDBRANCH 35 37 ENDBRANCH 31 35 ENDBRANCH 27 31 ENDBRANCH 2 25 TORSDOF 9