REMARK Name = BDB019519 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -3.019 -1.701 1.788 0.00 0.00 -0.222 N ATOM 2 C LIG 1 -2.103 -0.946 1.087 0.00 0.00 +0.075 A ATOM 3 C LIG 1 -0.956 -1.747 0.949 0.00 0.00 +0.017 A ATOM 4 C LIG 1 0.135 -1.198 0.233 0.00 0.00 +0.048 A ATOM 5 C LIG 1 0.059 0.102 -0.303 0.00 0.00 +0.040 A ATOM 6 C LIG 1 -1.080 0.898 -0.149 0.00 0.00 +0.049 A ATOM 7 C LIG 1 -1.214 -2.986 1.641 0.00 0.00 -0.023 A ATOM 8 C LIG 1 -0.300 -4.150 1.811 0.00 0.00 +0.046 C ATOM 9 C LIG 1 -2.172 0.360 0.558 0.00 0.00 +0.054 A ATOM 10 C LIG 1 -2.503 -2.916 2.133 0.00 0.00 +0.116 A ENDROOT BRANCH 6 11 ATOM 11 N LIG 1 -1.138 2.219 -0.698 0.00 0.00 -0.320 N ATOM 12 C LIG 1 -2.321 2.752 -1.235 0.00 0.00 +0.109 A ATOM 13 C LIG 1 -2.372 3.994 -1.756 0.00 0.00 +0.103 A ATOM 14 N LIG 1 -1.245 4.823 -1.791 0.00 0.00 -0.351 N ATOM 15 C LIG 1 -0.067 4.304 -1.242 0.00 0.00 +0.103 A ATOM 16 C LIG 1 -0.014 3.061 -0.724 0.00 0.00 +0.109 A BRANCH 14 17 ATOM 17 C LIG 1 -1.312 6.191 -2.314 0.00 0.00 +0.118 C ATOM 18 C LIG 1 -1.677 7.170 -1.210 0.00 0.00 +0.027 C ENDBRANCH 14 17 ENDBRANCH 6 11 BRANCH 4 19 ATOM 19 C LIG 1 1.369 -1.977 -0.009 0.00 0.00 +0.245 C ATOM 20 N LIG 1 2.535 -1.329 0.335 0.00 0.00 -0.307 N ATOM 21 H LIG 1 2.458 -0.550 0.983 0.00 0.00 +0.149 HD ATOM 22 O LIG 1 1.319 -3.106 -0.479 0.00 0.00 -0.270 OA BRANCH 20 23 ATOM 23 C LIG 1 3.794 -2.042 0.348 0.00 0.00 +0.149 C BRANCH 23 24 ATOM 24 C LIG 1 4.939 -1.081 0.285 0.00 0.00 +0.075 A ATOM 25 C LIG 1 5.054 -0.077 1.385 0.00 0.00 +0.257 A ATOM 26 O LIG 1 4.220 -0.004 2.283 0.00 0.00 -0.267 OA ATOM 27 N LIG 1 6.128 0.777 1.333 0.00 0.00 -0.326 N ATOM 28 H LIG 1 6.179 1.454 2.085 0.00 0.00 +0.169 HD ATOM 29 C LIG 1 7.065 0.792 0.328 0.00 0.00 +0.019 A ATOM 30 C LIG 1 8.138 1.832 0.406 0.00 0.00 +0.063 C ATOM 31 C LIG 1 6.963 -0.103 -0.665 0.00 0.00 +0.067 A ATOM 32 C LIG 1 5.898 -1.082 -0.658 0.00 0.00 +0.132 A BRANCH 32 33 ATOM 33 O LIG 1 5.887 -1.946 -1.733 0.00 0.00 -0.495 OA ATOM 34 C LIG 1 6.757 -3.057 -1.517 0.00 0.00 +0.277 C ENDBRANCH 32 33 ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 4 19 BRANCH 1 35 ATOM 35 S LIG 1 -4.641 -1.254 2.052 0.00 0.00 +0.061 S ATOM 36 O LIG 1 -5.247 -2.348 2.787 0.00 0.00 -0.152 OA ATOM 37 O LIG 1 -4.565 0.075 2.632 0.00 0.00 -0.152 OA BRANCH 35 38 ATOM 38 C LIG 1 -5.519 -1.130 0.464 0.00 0.00 +0.112 C ATOM 39 C LIG 1 -5.973 0.259 0.073 0.00 0.00 +0.034 C ATOM 40 C LIG 1 -6.970 -0.728 0.620 0.00 0.00 +0.034 C BRANCH 38 41 ATOM 41 C LIG 1 -5.097 -2.125 -0.568 0.00 0.00 +0.058 C BRANCH 41 43 ATOM 42 C LIG 1 -4.480 -4.545 -0.310 0.00 0.00 +0.004 C ATOM 43 C LIG 1 -5.387 -3.562 -0.245 0.00 0.00 -0.032 C ENDBRANCH 41 43 ENDBRANCH 38 41 ENDBRANCH 35 38 ENDBRANCH 1 35 TORSDOF 10