REMARK Name = BDB036719 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.357 -0.677 0.044 0.00 0.00 +0.151 A ATOM 2 C LIG 1 1.985 -0.955 0.100 0.00 0.00 +0.034 A ATOM 3 C LIG 1 0.665 -0.333 0.015 0.00 0.00 +0.150 C ATOM 4 N LIG 1 -0.228 -1.523 0.172 0.00 0.00 -0.270 N ATOM 5 C LIG 1 0.504 -2.821 0.408 0.00 0.00 +0.075 C ATOM 6 C LIG 1 0.221 -3.845 -0.692 0.00 0.00 +0.038 C ATOM 7 C LIG 1 0.246 -3.392 1.806 0.00 0.00 +0.038 C ATOM 8 C LIG 1 -1.603 -1.455 0.211 0.00 0.00 +0.303 C ATOM 9 N LIG 1 -2.113 -0.203 -0.029 0.00 0.00 -0.295 N ATOM 10 H LIG 1 -1.661 0.243 -0.819 0.00 0.00 +0.151 HD ATOM 11 O LIG 1 -2.316 -2.424 0.450 0.00 0.00 -0.253 OA ATOM 12 C LIG 1 1.881 -2.295 0.307 0.00 0.00 +0.066 A ATOM 13 N LIG 1 3.131 -2.788 0.371 0.00 0.00 -0.277 N ATOM 14 H LIG 1 3.451 -3.740 0.517 0.00 0.00 +0.189 HD ATOM 15 N LIG 1 4.053 -1.815 0.209 0.00 0.00 -0.158 NA ENDROOT BRANCH 1 16 ATOM 16 N LIG 1 3.824 0.574 -0.151 0.00 0.00 -0.282 N ATOM 17 H LIG 1 3.164 1.333 -0.244 0.00 0.00 +0.155 HD BRANCH 16 25 ATOM 18 C LIG 1 8.587 -0.273 -0.102 0.00 0.00 +0.088 C ATOM 19 C LIG 1 7.464 0.708 -0.247 0.00 0.00 +0.129 A ATOM 20 N LIG 1 7.793 1.994 -0.423 0.00 0.00 -0.232 NA ATOM 21 C LIG 1 6.737 2.834 -0.520 0.00 0.00 +0.083 A ATOM 22 C LIG 1 5.419 2.403 -0.437 0.00 0.00 +0.078 A ATOM 23 S LIG 1 4.327 3.729 -0.602 0.00 0.00 -0.092 S ATOM 24 C LIG 1 5.601 4.853 -0.778 0.00 0.00 +0.048 A ATOM 25 C LIG 1 5.147 1.040 -0.242 0.00 0.00 +0.142 A ATOM 26 C LIG 1 6.833 4.244 -0.716 0.00 0.00 +0.036 A ATOM 27 N LIG 1 6.218 0.219 -0.148 0.00 0.00 -0.216 NA ENDBRANCH 16 25 ENDBRANCH 1 16 BRANCH 9 28 ATOM 28 C LIG 1 -3.563 0.048 -0.053 0.00 0.00 +0.092 C BRANCH 28 29 ATOM 29 C LIG 1 -4.067 0.547 1.330 0.00 0.00 +0.015 C ATOM 30 C LIG 1 -5.552 0.936 1.335 0.00 0.00 +0.033 C ATOM 31 C LIG 1 -5.981 1.488 2.698 0.00 0.00 +0.160 C ATOM 32 O LIG 1 -5.107 1.109 3.759 0.00 0.00 -0.380 OA ATOM 33 C LIG 1 -4.721 -0.257 3.670 0.00 0.00 +0.160 C ATOM 34 C LIG 1 -3.830 -0.484 2.451 0.00 0.00 +0.033 C ENDBRANCH 28 29 BRANCH 28 35 ATOM 35 C LIG 1 -3.853 1.088 -1.181 0.00 0.00 +0.106 C BRANCH 35 36 ATOM 36 N LIG 1 -3.053 0.864 -2.412 0.00 0.00 -0.307 NA ATOM 37 C LIG 1 -3.471 -0.363 -3.102 0.00 0.00 +0.104 C ATOM 38 C LIG 1 -3.205 2.007 -3.318 0.00 0.00 +0.104 C ENDBRANCH 35 36 ENDBRANCH 28 35 ENDBRANCH 9 28 TORSDOF 6