REMARK Name = BDB034866 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.234 -0.716 -2.163 0.00 0.00 -0.155 NA ATOM 2 C LIG 1 -0.751 -0.978 -1.368 0.00 0.00 +0.153 C ATOM 3 N LIG 1 -1.236 -0.292 -0.264 0.00 0.00 -0.282 N ATOM 4 C LIG 1 -1.424 -0.958 1.030 0.00 0.00 +0.113 C ATOM 5 C LIG 1 -1.452 -2.477 0.930 0.00 0.00 +0.030 C ATOM 6 C LIG 1 -2.339 -2.919 -0.216 0.00 0.00 +0.078 C ATOM 7 S LIG 1 -1.578 -2.491 -1.793 0.00 0.00 -0.092 S ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 -1.576 1.087 -0.307 0.00 0.00 +0.035 A ATOM 9 C LIG 1 -1.551 1.909 0.835 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -1.889 3.266 0.770 0.00 0.00 +0.002 A ATOM 11 C LIG 1 -2.262 3.835 -0.442 0.00 0.00 +0.000 A ATOM 12 C LIG 1 -2.296 3.049 -1.587 0.00 0.00 +0.002 A ATOM 13 C LIG 1 -1.959 1.693 -1.518 0.00 0.00 +0.023 A ENDBRANCH 3 8 BRANCH 1 15 ATOM 14 O LIG 1 1.008 1.373 -2.661 0.00 0.00 -0.268 OA ATOM 15 C LIG 1 0.996 0.395 -1.920 0.00 0.00 +0.270 C BRANCH 15 16 ATOM 16 C LIG 1 1.868 0.410 -0.719 0.00 0.00 +0.051 A ATOM 17 C LIG 1 2.380 -0.761 -0.128 0.00 0.00 +0.031 A ATOM 18 C LIG 1 3.140 -0.588 1.026 0.00 0.00 +0.139 A ATOM 19 N LIG 1 3.551 -1.819 1.458 0.00 0.00 -0.346 N ATOM 20 H LIG 1 4.129 -1.960 2.273 0.00 0.00 +0.167 HD ATOM 21 C LIG 1 3.082 -2.789 0.610 0.00 0.00 +0.085 A ATOM 22 N LIG 1 3.447 0.566 1.644 0.00 0.00 -0.237 NA ATOM 23 C LIG 1 2.957 1.656 1.015 0.00 0.00 +0.114 A ATOM 24 C LIG 1 2.364 -2.163 -0.387 0.00 0.00 +0.030 A ATOM 25 C LIG 1 2.187 1.643 -0.134 0.00 0.00 +0.033 A ENDBRANCH 15 16 ENDBRANCH 1 15 TORSDOF 3