REMARK Name = BDB015562 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.977 0.476 0.360 0.00 0.00 +0.145 A ATOM 2 N LIG 1 0.610 1.685 -0.065 0.00 0.00 -0.178 NA ATOM 3 C LIG 1 -0.690 1.973 0.083 0.00 0.00 +0.326 A ATOM 4 N LIG 1 -1.604 1.164 0.638 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 -1.175 -0.042 1.067 0.00 0.00 +0.081 A ATOM 6 C LIG 1 0.144 -0.427 0.969 0.00 0.00 +0.073 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -2.209 -0.910 1.685 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -2.199 -2.239 1.465 0.00 0.00 +0.098 A ATOM 9 N LIG 1 -3.148 -3.087 2.015 0.00 0.00 -0.317 N ATOM 10 C LIG 1 -3.050 -4.510 1.726 0.00 0.00 +0.152 C ATOM 11 C LIG 1 -4.186 -2.629 2.826 0.00 0.00 +0.254 A ATOM 12 O LIG 1 -5.032 -3.356 3.341 0.00 0.00 -0.267 OA ATOM 13 C LIG 1 -4.232 -1.149 3.052 0.00 0.00 +0.015 A ATOM 14 C LIG 1 -5.355 -0.627 3.889 0.00 0.00 +0.049 C ATOM 15 C LIG 1 -3.289 -0.370 2.498 0.00 0.00 +0.020 A ENDBRANCH 5 7 BRANCH 1 16 ATOM 16 N LIG 1 2.367 0.261 0.170 0.00 0.00 -0.204 N ATOM 17 H LIG 1 2.726 1.136 -0.224 0.00 0.00 +0.175 HD BRANCH 16 18 ATOM 18 S LIG 1 2.738 -1.003 -0.899 0.00 0.00 +0.044 S ATOM 19 O LIG 1 2.565 -0.481 -2.236 0.00 0.00 -0.155 OA ATOM 20 O LIG 1 2.059 -2.201 -0.454 0.00 0.00 -0.155 OA BRANCH 18 21 ATOM 21 C LIG 1 4.487 -1.183 -0.570 0.00 0.00 +0.188 C BRANCH 21 23 ATOM 22 C LIG 1 4.832 -3.585 -1.352 0.00 0.00 +0.005 C ATOM 23 C LIG 1 5.191 -2.120 -1.546 0.00 0.00 +0.021 C ENDBRANCH 21 23 ENDBRANCH 18 21 ENDBRANCH 16 18 ENDBRANCH 1 16 BRANCH 3 24 ATOM 24 O LIG 1 -1.188 3.193 -0.363 0.00 0.00 -0.423 OA BRANCH 24 25 ATOM 25 C LIG 1 -0.279 4.037 -0.956 0.00 0.00 +0.138 A ATOM 26 C LIG 1 0.018 3.937 -2.317 0.00 0.00 +0.010 A ATOM 27 C LIG 1 -0.572 2.883 -3.199 0.00 0.00 +0.049 C ATOM 28 C LIG 1 0.948 4.841 -2.816 0.00 0.00 +0.117 A ATOM 29 N LIG 1 1.537 5.814 -2.083 0.00 0.00 -0.263 NA ATOM 30 C LIG 1 1.186 5.897 -0.782 0.00 0.00 +0.114 A ATOM 31 C LIG 1 0.287 5.042 -0.176 0.00 0.00 +0.066 A ENDBRANCH 24 25 ENDBRANCH 3 24 TORSDOF 7