REMARK Name = BDB013478 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.130 1.197 1.185 0.00 0.00 +0.060 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.015 2.220 1.023 0.00 0.00 -0.034 A ATOM 3 C LIG 1 1.410 2.796 -0.220 0.00 0.00 -0.017 A ATOM 4 C LIG 1 0.706 2.524 -1.517 0.00 0.00 +0.046 C ATOM 5 C LIG 1 2.501 3.700 -0.193 0.00 0.00 +0.116 A ATOM 6 N LIG 1 3.094 4.402 -1.215 0.00 0.00 -0.129 NA ATOM 7 N LIG 1 4.086 5.122 -0.709 0.00 0.00 -0.065 NA ATOM 8 N LIG 1 4.121 4.882 0.611 0.00 0.00 -0.247 N ATOM 9 C LIG 1 5.106 5.526 1.440 0.00 0.00 +0.175 C ATOM 10 C LIG 1 3.151 3.997 0.997 0.00 0.00 +0.089 A ATOM 11 C LIG 1 2.790 3.449 2.224 0.00 0.00 +0.030 A ATOM 12 C LIG 1 1.715 2.559 2.207 0.00 0.00 +0.007 A ENDBRANCH 1 2 BRANCH 1 17 ATOM 13 C LIG 1 -5.267 3.337 -0.702 0.00 0.00 +0.044 C ATOM 14 C LIG 1 -3.974 2.704 -0.263 0.00 0.00 -0.046 A ATOM 15 C LIG 1 -3.464 1.500 -0.792 0.00 0.00 -0.028 A ATOM 16 C LIG 1 -2.208 1.041 -0.334 0.00 0.00 +0.009 A ATOM 17 C LIG 1 -1.476 1.704 0.662 0.00 0.00 -0.039 A ATOM 18 C LIG 1 -2.032 2.866 1.210 0.00 0.00 +0.004 A ATOM 19 C LIG 1 -3.256 3.358 0.753 0.00 0.00 +0.004 A BRANCH 15 20 ATOM 20 C LIG 1 -4.169 0.665 -1.847 0.00 0.00 +0.144 C BRANCH 20 21 ATOM 21 N LIG 1 -4.887 -0.537 -1.367 0.00 0.00 -0.171 NA ATOM 22 S LIG 1 -3.961 -1.893 -0.969 0.00 0.00 +0.063 S ATOM 23 O LIG 1 -3.067 -2.124 -2.089 0.00 0.00 -0.153 OA ATOM 24 O LIG 1 -3.406 -1.755 0.361 0.00 0.00 -0.153 OA ATOM 25 C LIG 1 -5.170 -3.184 -0.937 0.00 0.00 +0.126 A ATOM 26 C LIG 1 -6.217 -3.188 0.001 0.00 0.00 +0.056 A ATOM 27 C LIG 1 -7.105 -4.288 -0.060 0.00 0.00 +0.025 A ATOM 28 C LIG 1 -6.955 -5.329 -0.981 0.00 0.00 +0.002 A ATOM 29 C LIG 1 -5.901 -5.304 -1.883 0.00 0.00 +0.002 A ATOM 30 N LIG 1 -6.492 -2.223 0.980 0.00 0.00 -0.330 N ATOM 31 C LIG 1 -6.191 -2.720 2.334 0.00 0.00 +0.129 C ATOM 32 C LIG 1 -6.157 -0.792 0.813 0.00 0.00 +0.122 C ATOM 33 C LIG 1 -5.011 -4.233 -1.866 0.00 0.00 +0.030 A ATOM 34 C LIG 1 -6.152 -0.285 -0.633 0.00 0.00 +0.128 C ENDBRANCH 20 21 ENDBRANCH 15 20 ENDBRANCH 1 17 BRANCH 1 35 ATOM 35 C LIG 1 0.290 -0.207 0.709 0.00 0.00 +0.133 C BRANCH 35 36 ATOM 36 C LIG 1 1.524 -0.680 1.433 0.00 0.00 +0.308 C ATOM 37 O LIG 1 1.597 -0.848 2.645 0.00 0.00 -0.251 OA BRANCH 36 38 ATOM 38 O LIG 1 2.540 -0.879 0.546 0.00 0.00 -0.465 OA BRANCH 38 39 ATOM 39 C LIG 1 3.783 -1.282 1.136 0.00 0.00 +0.233 C BRANCH 39 40 ATOM 40 C LIG 1 4.812 -1.396 0.013 0.00 0.00 +0.056 C BRANCH 40 41 ATOM 41 C LIG 1 6.182 -1.798 0.561 0.00 0.00 +0.087 C BRANCH 41 42 ATOM 42 N LIG 1 7.266 -1.969 -0.403 0.00 0.00 -0.302 NA ATOM 43 C LIG 1 7.061 -3.013 -1.400 0.00 0.00 +0.084 C ATOM 44 C LIG 1 8.237 -2.798 -2.342 0.00 0.00 +0.017 C ATOM 45 C LIG 1 8.583 -1.317 -2.211 0.00 0.00 +0.017 C ATOM 46 C LIG 1 7.630 -0.774 -1.153 0.00 0.00 +0.084 C ENDBRANCH 41 42 ENDBRANCH 40 41 ENDBRANCH 39 40 ENDBRANCH 38 39 ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 1 35 TORSDOF 11