REMARK Name = BDB036718 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.643 -0.265 0.203 0.00 0.00 +0.151 A ATOM 2 C LIG 1 2.242 -0.248 0.197 0.00 0.00 +0.034 A ATOM 3 C LIG 1 1.085 0.347 0.860 0.00 0.00 +0.150 C ATOM 4 N LIG 1 -0.043 -0.283 0.112 0.00 0.00 -0.270 N ATOM 5 C LIG 1 0.397 -1.236 -0.985 0.00 0.00 +0.075 C ATOM 6 C LIG 1 -0.015 -0.757 -2.378 0.00 0.00 +0.038 C ATOM 7 C LIG 1 -0.022 -2.686 -0.720 0.00 0.00 +0.038 C ATOM 8 C LIG 1 -1.302 0.171 0.420 0.00 0.00 +0.303 C ATOM 9 N LIG 1 -2.326 -0.386 -0.290 0.00 0.00 -0.295 N ATOM 10 H LIG 1 -2.238 -1.390 -0.356 0.00 0.00 +0.151 HD ATOM 11 O LIG 1 -1.488 1.046 1.265 0.00 0.00 -0.253 OA ATOM 12 C LIG 1 1.857 -1.092 -0.795 0.00 0.00 +0.066 A ATOM 13 N LIG 1 2.977 -1.587 -1.354 0.00 0.00 -0.277 N ATOM 14 H LIG 1 3.092 -2.243 -2.119 0.00 0.00 +0.189 HD ATOM 15 N LIG 1 4.084 -1.097 -0.757 0.00 0.00 -0.158 NA ENDROOT BRANCH 1 16 ATOM 16 N LIG 1 4.363 0.475 1.075 0.00 0.00 -0.282 N ATOM 17 H LIG 1 3.863 1.062 1.724 0.00 0.00 +0.155 HD BRANCH 16 25 ATOM 18 C LIG 1 8.804 -0.879 -0.246 0.00 0.00 +0.088 C ATOM 19 C LIG 1 7.941 -0.026 0.631 0.00 0.00 +0.129 A ATOM 20 N LIG 1 8.559 0.747 1.531 0.00 0.00 -0.225 NA ATOM 21 C LIG 1 7.703 1.452 2.285 0.00 0.00 +0.114 A ATOM 22 C LIG 1 6.319 1.433 2.210 0.00 0.00 +0.048 A ATOM 23 C LIG 1 5.752 2.328 3.186 0.00 0.00 +0.021 A ATOM 24 C LIG 1 6.710 2.970 3.941 0.00 0.00 +0.048 A ATOM 25 C LIG 1 5.757 0.577 1.235 0.00 0.00 +0.136 A ATOM 26 S LIG 1 8.291 2.507 3.489 0.00 0.00 -0.077 S ATOM 27 N LIG 1 6.613 -0.139 0.468 0.00 0.00 -0.217 NA ENDBRANCH 16 25 ENDBRANCH 1 16 BRANCH 9 28 ATOM 28 C LIG 1 -3.725 -0.009 -0.044 0.00 0.00 +0.092 C BRANCH 28 29 ATOM 29 C LIG 1 -4.193 1.137 -0.983 0.00 0.00 +0.015 C ATOM 30 C LIG 1 -5.670 1.507 -0.726 0.00 0.00 +0.033 C ATOM 31 C LIG 1 -5.997 2.949 -1.103 0.00 0.00 +0.160 C ATOM 32 O LIG 1 -5.208 3.349 -2.214 0.00 0.00 -0.380 OA ATOM 33 C LIG 1 -3.826 3.477 -1.874 0.00 0.00 +0.160 C ATOM 34 C LIG 1 -3.338 2.408 -0.894 0.00 0.00 +0.033 C ENDBRANCH 28 29 BRANCH 28 35 ATOM 35 C LIG 1 -4.612 -1.281 -0.235 0.00 0.00 +0.106 C BRANCH 35 36 ATOM 36 N LIG 1 -4.019 -2.506 0.359 0.00 0.00 -0.307 NA ATOM 37 C LIG 1 -4.010 -2.437 1.825 0.00 0.00 +0.104 C ATOM 38 C LIG 1 -4.781 -3.684 -0.069 0.00 0.00 +0.104 C ENDBRANCH 35 36 ENDBRANCH 28 35 ENDBRANCH 9 28 TORSDOF 6