REMARK Name = BDB038720 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.006 -0.314 -0.610 0.00 0.00 -0.012 A ATOM 2 C LIG 1 -2.635 -0.085 -0.455 0.00 0.00 +0.052 A ATOM 3 C LIG 1 -1.777 -1.152 -0.229 0.00 0.00 +0.129 A ATOM 4 N LIG 1 -2.235 -2.422 -0.156 0.00 0.00 -0.236 NA ATOM 5 C LIG 1 -3.559 -2.671 -0.310 0.00 0.00 +0.047 A ATOM 6 C LIG 1 -4.455 -1.636 -0.552 0.00 0.00 +0.032 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -0.394 -0.974 -0.050 0.00 0.00 -0.248 N ATOM 8 C LIG 1 0.319 0.217 -0.042 0.00 0.00 +0.253 C ATOM 9 O LIG 1 -0.053 1.369 -0.170 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 1.727 -0.139 0.178 0.00 0.00 +0.045 A ATOM 11 C LIG 1 1.808 -1.519 0.305 0.00 0.00 +0.018 A ATOM 12 C LIG 1 3.029 -2.111 0.528 0.00 0.00 +0.129 A ATOM 13 C LIG 1 4.169 -1.313 0.622 0.00 0.00 +0.043 A ATOM 14 C LIG 1 4.085 0.093 0.485 0.00 0.00 -0.030 A ATOM 15 F LIG 1 3.125 -3.440 0.656 0.00 0.00 -0.205 F ATOM 16 C LIG 1 2.833 0.689 0.263 0.00 0.00 +0.018 A ATOM 17 C LIG 1 0.462 -2.134 0.165 0.00 0.00 +0.154 C BRANCH 14 18 ATOM 18 C LIG 1 5.333 0.946 0.593 0.00 0.00 +0.120 C BRANCH 18 19 ATOM 19 N LIG 1 6.358 0.558 -0.372 0.00 0.00 -0.293 NA ATOM 20 C LIG 1 7.677 1.155 -0.137 0.00 0.00 +0.088 C ATOM 21 C LIG 1 8.410 1.038 -1.477 0.00 0.00 +0.137 C ATOM 22 O LIG 1 8.999 2.313 -1.773 0.00 0.00 -0.375 OA ATOM 23 C LIG 1 9.012 3.059 -0.551 0.00 0.00 +0.162 C ATOM 24 C LIG 1 7.342 0.674 -2.499 0.00 0.00 +0.048 C ATOM 25 C LIG 1 7.749 2.646 0.167 0.00 0.00 +0.049 C ATOM 26 C LIG 1 6.022 0.882 -1.764 0.00 0.00 +0.087 C ENDBRANCH 18 19 ENDBRANCH 14 18 ENDBRANCH 3 7 BRANCH 1 28 ATOM 27 C LIG 1 -6.040 1.060 0.045 0.00 0.00 +0.028 A ATOM 28 C LIG 1 -4.946 0.805 -0.818 0.00 0.00 -0.007 A ATOM 29 C LIG 1 -4.770 1.648 -1.933 0.00 0.00 +0.010 A ATOM 30 C LIG 1 -5.654 2.698 -2.199 0.00 0.00 +0.019 A ATOM 31 C LIG 1 -6.742 2.926 -1.357 0.00 0.00 +0.052 A ATOM 32 C LIG 1 -6.935 2.106 -0.243 0.00 0.00 +0.031 A BRANCH 27 35 ATOM 33 C LIG 1 -4.352 0.951 2.689 0.00 0.00 +0.152 C ATOM 34 N LIG 1 -5.539 0.203 2.374 0.00 0.00 -0.317 N ATOM 35 C LIG 1 -6.306 0.255 1.236 0.00 0.00 +0.164 A ATOM 36 N LIG 1 -7.341 -0.548 1.401 0.00 0.00 -0.129 NA ATOM 37 N LIG 1 -7.230 -1.155 2.630 0.00 0.00 -0.138 NA ATOM 38 C LIG 1 -6.145 -0.692 3.202 0.00 0.00 +0.225 A ENDBRANCH 27 35 BRANCH 31 39 ATOM 39 C LIG 1 -7.656 3.995 -1.635 0.00 0.00 +0.099 C ATOM 40 N LIG 1 -8.387 4.868 -1.861 0.00 0.00 -0.191 NA ENDBRANCH 31 39 ENDBRANCH 1 28 BRANCH 5 41 ATOM 41 C LIG 1 -4.039 -4.099 -0.218 0.00 0.00 +0.038 C ATOM 42 C LIG 1 -5.038 -4.494 0.848 0.00 0.00 +0.010 C ATOM 43 C LIG 1 -3.617 -4.961 0.951 0.00 0.00 +0.010 C ENDBRANCH 5 41 TORSDOF 7