REMARK Name = BDB013520 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.173 -0.281 0.881 0.00 0.00 -0.028 A ATOM 2 C LIG 1 -1.121 -1.412 1.716 0.00 0.00 -0.046 A ATOM 3 C LIG 1 -2.355 -2.027 2.316 0.00 0.00 +0.044 C ATOM 4 C LIG 1 0.126 -1.984 1.998 0.00 0.00 +0.004 A ATOM 5 C LIG 1 1.303 -1.452 1.465 0.00 0.00 +0.004 A ATOM 6 C LIG 1 1.281 -0.340 0.610 0.00 0.00 -0.039 A ATOM 7 C LIG 1 0.029 0.244 0.354 0.00 0.00 +0.009 A ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 -2.471 0.436 0.551 0.00 0.00 +0.145 C BRANCH 8 19 ATOM 9 C LIG 1 -4.516 -0.708 -1.989 0.00 0.00 +0.189 C ATOM 10 O LIG 1 -5.287 -0.532 -0.794 0.00 0.00 -0.486 OA ATOM 11 C LIG 1 -5.743 0.735 -0.562 0.00 0.00 +0.147 A ATOM 12 C LIG 1 -5.078 1.944 -0.781 0.00 0.00 +0.147 A ATOM 13 C LIG 1 -5.700 3.160 -0.444 0.00 0.00 +0.032 A ATOM 14 C LIG 1 -6.978 3.171 0.112 0.00 0.00 +0.002 A ATOM 15 C LIG 1 -7.638 1.970 0.346 0.00 0.00 +0.004 A ATOM 16 S LIG 1 -3.413 2.062 -1.381 0.00 0.00 +0.065 S ATOM 17 O LIG 1 -3.481 2.087 -2.827 0.00 0.00 -0.153 OA ATOM 18 O LIG 1 -2.769 3.137 -0.651 0.00 0.00 -0.153 OA ATOM 19 N LIG 1 -2.658 0.629 -0.910 0.00 0.00 -0.169 NA ATOM 20 C LIG 1 -7.020 0.762 0.017 0.00 0.00 +0.047 A ATOM 21 C LIG 1 -3.019 -0.610 -1.655 0.00 0.00 +0.154 C BRANCH 9 23 ATOM 22 C LIG 1 -4.683 -3.272 -1.675 0.00 0.00 +0.007 C ATOM 23 C LIG 1 -4.886 -2.075 -2.597 0.00 0.00 +0.042 C ENDBRANCH 9 23 ENDBRANCH 8 19 ENDBRANCH 1 8 BRANCH 6 24 ATOM 24 C LIG 1 2.579 0.275 0.050 0.00 0.00 +0.060 C BRANCH 24 25 ATOM 25 C LIG 1 3.780 -0.694 0.035 0.00 0.00 -0.032 A ATOM 26 C LIG 1 4.835 -0.524 0.986 0.00 0.00 -0.027 A ATOM 27 C LIG 1 5.936 -1.398 0.968 0.00 0.00 +0.043 A ATOM 28 C LIG 1 6.006 -2.420 0.037 0.00 0.00 +0.124 A ATOM 29 F LIG 1 7.069 -3.236 0.032 0.00 0.00 -0.205 F ATOM 30 C LIG 1 4.990 -2.611 -0.883 0.00 0.00 +0.042 A ATOM 31 C LIG 1 3.861 -1.774 -0.891 0.00 0.00 -0.044 A ATOM 32 C LIG 1 2.814 -2.066 -1.936 0.00 0.00 +0.044 C BRANCH 26 33 ATOM 33 C LIG 1 4.841 0.573 2.043 0.00 0.00 +0.119 C BRANCH 33 34 ATOM 34 N LIG 1 5.084 1.914 1.463 0.00 0.00 -0.304 NA ATOM 35 C LIG 1 4.668 2.943 2.428 0.00 0.00 +0.104 C ATOM 36 C LIG 1 6.522 2.091 1.177 0.00 0.00 +0.104 C ENDBRANCH 33 34 ENDBRANCH 26 33 ENDBRANCH 24 25 BRANCH 24 37 ATOM 37 C LIG 1 2.403 1.046 -1.277 0.00 0.00 +0.133 C BRANCH 37 38 ATOM 38 C LIG 1 3.658 1.460 -2.005 0.00 0.00 +0.306 C ATOM 39 O LIG 1 3.800 1.298 -3.211 0.00 0.00 -0.251 OA BRANCH 38 40 ATOM 40 O LIG 1 4.580 2.111 -1.272 0.00 0.00 -0.481 OA ATOM 41 H LIG 1 4.460 2.103 -0.293 0.00 0.00 +0.295 HD ENDBRANCH 38 40 ENDBRANCH 37 38 ENDBRANCH 24 37 ENDBRANCH 6 24 TORSDOF 10