REMARK Name = BDB013409 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.867 -1.482 0.164 0.00 0.00 -0.028 A ATOM 2 C LIG 1 0.540 -2.099 1.388 0.00 0.00 -0.046 A ATOM 3 C LIG 1 1.585 -2.474 2.403 0.00 0.00 +0.044 C ATOM 4 C LIG 1 -0.805 -2.382 1.669 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -1.815 -2.066 0.758 0.00 0.00 +0.004 A ATOM 6 C LIG 1 -1.510 -1.457 -0.464 0.00 0.00 -0.039 A ATOM 7 C LIG 1 -0.165 -1.178 -0.748 0.00 0.00 +0.009 A ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 2.290 -1.138 -0.236 0.00 0.00 +0.145 C BRANCH 8 19 ATOM 9 C LIG 1 4.008 1.563 1.044 0.00 0.00 +0.189 C ATOM 10 O LIG 1 4.826 0.383 1.067 0.00 0.00 -0.486 OA ATOM 11 C LIG 1 5.516 0.121 -0.084 0.00 0.00 +0.147 A ATOM 12 C LIG 1 5.060 0.240 -1.398 0.00 0.00 +0.147 A ATOM 13 C LIG 1 5.903 -0.109 -2.468 0.00 0.00 +0.032 A ATOM 14 C LIG 1 7.193 -0.581 -2.228 0.00 0.00 +0.002 A ATOM 15 C LIG 1 7.643 -0.720 -0.919 0.00 0.00 +0.004 A ATOM 16 S LIG 1 3.413 0.731 -1.829 0.00 0.00 +0.065 S ATOM 17 O LIG 1 2.993 -0.098 -2.941 0.00 0.00 -0.153 OA ATOM 18 O LIG 1 3.416 2.175 -1.943 0.00 0.00 -0.153 OA ATOM 19 N LIG 1 2.453 0.311 -0.508 0.00 0.00 -0.169 NA ATOM 20 C LIG 1 6.805 -0.379 0.144 0.00 0.00 +0.047 A ATOM 21 C LIG 1 2.562 1.164 0.705 0.00 0.00 +0.154 C BRANCH 9 23 ATOM 22 C LIG 1 3.356 3.496 2.591 0.00 0.00 +0.007 C ATOM 23 C LIG 1 4.110 2.184 2.447 0.00 0.00 +0.042 C ENDBRANCH 9 23 ENDBRANCH 8 19 ENDBRANCH 1 8 BRANCH 6 24 ATOM 24 C LIG 1 -2.590 -1.119 -1.492 0.00 0.00 +0.060 C BRANCH 24 25 ATOM 25 C LIG 1 -3.830 -0.442 -0.898 0.00 0.00 -0.034 A ATOM 26 C LIG 1 -5.133 -0.936 -1.070 0.00 0.00 +0.036 A ATOM 27 C LIG 1 -6.214 -0.237 -0.511 0.00 0.00 +0.117 A ATOM 28 N LIG 1 -7.556 -0.510 -0.540 0.00 0.00 -0.129 NA ATOM 29 N LIG 1 -8.186 0.446 0.130 0.00 0.00 -0.065 NA ATOM 30 N LIG 1 -7.250 1.307 0.576 0.00 0.00 -0.243 N ATOM 31 C LIG 1 -7.639 2.458 1.346 0.00 0.00 +0.175 C ATOM 32 C LIG 1 -5.988 0.932 0.200 0.00 0.00 +0.130 A ATOM 33 C LIG 1 -4.717 1.477 0.402 0.00 0.00 +0.147 A ATOM 34 C LIG 1 -3.652 0.762 -0.172 0.00 0.00 +0.052 A BRANCH 33 35 ATOM 35 O LIG 1 -4.617 2.635 1.117 0.00 0.00 -0.493 OA ATOM 36 C LIG 1 -3.305 3.129 1.359 0.00 0.00 +0.277 C ENDBRANCH 33 35 ENDBRANCH 24 25 BRANCH 24 37 ATOM 37 C LIG 1 -2.794 -2.276 -2.490 0.00 0.00 +0.133 C BRANCH 37 38 ATOM 38 C LIG 1 -3.132 -3.608 -1.873 0.00 0.00 +0.306 C ATOM 39 O LIG 1 -3.872 -3.831 -0.931 0.00 0.00 -0.251 OA BRANCH 38 40 ATOM 40 O LIG 1 -2.558 -4.633 -2.536 0.00 0.00 -0.481 OA ATOM 41 H LIG 1 -2.865 -5.428 -2.052 0.00 0.00 +0.295 HD ENDBRANCH 38 40 ENDBRANCH 37 38 ENDBRANCH 24 37 ENDBRANCH 6 24 TORSDOF 9