REMARK Name = BDB013480 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.445 -2.112 -0.267 0.00 0.00 +0.060 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.423 -3.157 0.308 0.00 0.00 -0.034 A ATOM 3 C LIG 1 -2.038 -3.080 1.594 0.00 0.00 -0.017 A ATOM 4 C LIG 1 -1.799 -1.967 2.576 0.00 0.00 +0.046 C ATOM 5 C LIG 1 -2.946 -4.112 1.940 0.00 0.00 +0.116 A ATOM 6 N LIG 1 -3.696 -4.279 3.080 0.00 0.00 -0.129 NA ATOM 7 N LIG 1 -4.401 -5.395 2.959 0.00 0.00 -0.065 NA ATOM 8 N LIG 1 -4.097 -5.931 1.765 0.00 0.00 -0.247 N ATOM 9 C LIG 1 -4.719 -7.162 1.362 0.00 0.00 +0.175 C ATOM 10 C LIG 1 -3.194 -5.169 1.074 0.00 0.00 +0.089 A ATOM 11 C LIG 1 -2.585 -5.290 -0.171 0.00 0.00 +0.030 A ATOM 12 C LIG 1 -1.701 -4.268 -0.529 0.00 0.00 +0.007 A ENDBRANCH 1 2 BRANCH 1 17 ATOM 13 C LIG 1 5.188 -2.473 1.381 0.00 0.00 +0.044 C ATOM 14 C LIG 1 3.760 -2.402 0.917 0.00 0.00 -0.046 A ATOM 15 C LIG 1 3.381 -1.691 -0.237 0.00 0.00 -0.028 A ATOM 16 C LIG 1 2.016 -1.629 -0.581 0.00 0.00 +0.009 A ATOM 17 C LIG 1 1.012 -2.251 0.186 0.00 0.00 -0.039 A ATOM 18 C LIG 1 1.418 -2.973 1.313 0.00 0.00 +0.004 A ATOM 19 C LIG 1 2.767 -3.036 1.678 0.00 0.00 +0.004 A BRANCH 15 20 ATOM 20 C LIG 1 4.380 -0.980 -1.126 0.00 0.00 +0.144 C BRANCH 20 21 ATOM 21 N LIG 1 4.914 0.270 -0.525 0.00 0.00 -0.171 NA ATOM 22 S LIG 1 4.016 1.654 -0.953 0.00 0.00 +0.063 S ATOM 23 O LIG 1 2.690 1.504 -0.386 0.00 0.00 -0.153 OA ATOM 24 O LIG 1 4.150 1.873 -2.380 0.00 0.00 -0.153 OA ATOM 25 C LIG 1 4.852 2.950 -0.090 0.00 0.00 +0.126 A ATOM 26 C LIG 1 6.163 3.320 -0.423 0.00 0.00 +0.056 A ATOM 27 C LIG 1 6.714 4.399 0.300 0.00 0.00 +0.025 A ATOM 28 C LIG 1 6.008 5.076 1.297 0.00 0.00 +0.002 A ATOM 29 C LIG 1 4.713 4.688 1.605 0.00 0.00 +0.002 A ATOM 30 N LIG 1 6.992 2.726 -1.381 0.00 0.00 -0.330 N ATOM 31 C LIG 1 7.145 3.577 -2.573 0.00 0.00 +0.129 C ATOM 32 C LIG 1 6.941 1.283 -1.694 0.00 0.00 +0.122 C ATOM 33 C LIG 1 4.134 3.628 0.912 0.00 0.00 +0.030 A ATOM 34 C LIG 1 6.405 0.380 -0.576 0.00 0.00 +0.128 C ENDBRANCH 20 21 ENDBRANCH 15 20 ENDBRANCH 1 17 BRANCH 1 35 ATOM 35 C LIG 1 -0.938 -0.653 -0.216 0.00 0.00 +0.133 C BRANCH 35 36 ATOM 36 C LIG 1 -2.203 -0.505 -1.018 0.00 0.00 +0.308 C ATOM 37 O LIG 1 -2.227 -0.377 -2.236 0.00 0.00 -0.251 OA BRANCH 36 38 ATOM 38 O LIG 1 -3.296 -0.565 -0.212 0.00 0.00 -0.465 OA BRANCH 38 39 ATOM 39 C LIG 1 -4.569 -0.544 -0.874 0.00 0.00 +0.233 C BRANCH 39 40 ATOM 40 C LIG 1 -5.083 0.887 -1.020 0.00 0.00 +0.056 C BRANCH 40 41 ATOM 41 C LIG 1 -5.337 1.532 0.352 0.00 0.00 +0.088 C BRANCH 41 42 ATOM 42 N LIG 1 -5.871 2.896 0.343 0.00 0.00 -0.298 NA ATOM 43 C LIG 1 -5.004 3.902 -0.295 0.00 0.00 +0.112 C ATOM 44 C LIG 1 -5.579 4.464 -1.606 0.00 0.00 +0.175 C ATOM 45 O LIG 1 -6.884 5.045 -1.456 0.00 0.00 -0.377 OA ATOM 46 C LIG 1 -7.649 4.456 -0.392 0.00 0.00 +0.175 C ATOM 47 C LIG 1 -7.266 2.993 -0.119 0.00 0.00 +0.112 C ENDBRANCH 41 42 ENDBRANCH 40 41 ENDBRANCH 39 40 ENDBRANCH 38 39 ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 1 35 TORSDOF 11