REMARK Name = BDB047597 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.827 -2.055 -2.176 0.00 0.00 +0.078 C ATOM 2 C LIG 1 -0.677 -1.893 -1.892 0.00 0.00 +0.032 C ATOM 3 C LIG 1 -1.319 -0.739 -2.667 0.00 0.00 +0.109 C ATOM 4 N LIG 1 -0.342 0.257 -3.095 0.00 0.00 -0.297 N ATOM 5 C LIG 1 -0.601 1.628 -3.127 0.00 0.00 +0.247 C ATOM 6 O LIG 1 -0.020 2.411 -3.874 0.00 0.00 -0.270 OA ATOM 7 C LIG 1 0.760 -0.221 -3.918 0.00 0.00 +0.109 C ATOM 8 C LIG 1 1.119 -1.679 -3.633 0.00 0.00 +0.032 C ENDROOT BRANCH 5 9 ATOM 9 C LIG 1 -1.595 2.174 -2.181 0.00 0.00 +0.037 A ATOM 10 C LIG 1 -1.388 2.034 -0.802 0.00 0.00 +0.017 A ATOM 11 C LIG 1 -2.310 2.574 0.102 0.00 0.00 -0.041 A ATOM 12 C LIG 1 -3.435 3.248 -0.402 0.00 0.00 +0.004 A ATOM 13 C LIG 1 -3.625 3.401 -1.778 0.00 0.00 +0.001 A ATOM 14 C LIG 1 -2.697 2.874 -2.673 0.00 0.00 +0.013 A BRANCH 11 15 ATOM 15 C LIG 1 -2.102 2.452 1.593 0.00 0.00 +0.093 C BRANCH 15 16 ATOM 16 C LIG 1 -3.054 1.453 2.239 0.00 0.00 +0.074 A ATOM 17 C LIG 1 -2.651 0.032 2.409 0.00 0.00 +0.011 A ATOM 18 C LIG 1 -3.579 -0.825 2.998 0.00 0.00 +0.050 A ATOM 19 C LIG 1 -3.278 -2.178 3.204 0.00 0.00 +0.014 A ATOM 20 C LIG 1 -2.035 -2.677 2.820 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -1.101 -1.826 2.232 0.00 0.00 +0.001 A ATOM 22 C LIG 1 -4.888 -0.294 3.412 0.00 0.00 +0.272 A ATOM 23 O LIG 1 -5.738 -1.014 3.924 0.00 0.00 -0.266 OA ATOM 24 N LIG 1 -5.093 1.045 3.192 0.00 0.00 -0.242 N ATOM 25 H LIG 1 -5.991 1.429 3.471 0.00 0.00 +0.192 HD ATOM 26 C LIG 1 -1.406 -0.476 2.024 0.00 0.00 +0.010 A ATOM 27 N LIG 1 -4.213 1.907 2.620 0.00 0.00 -0.175 NA ENDBRANCH 15 16 ENDBRANCH 11 15 ENDBRANCH 5 9 BRANCH 1 29 ATOM 28 O LIG 1 1.195 -0.576 -0.273 0.00 0.00 -0.276 OA ATOM 29 C LIG 1 1.673 -1.244 -1.187 0.00 0.00 +0.216 C ATOM 30 N LIG 1 3.032 -1.369 -1.374 0.00 0.00 -0.315 N ATOM 31 H LIG 1 3.389 -2.035 -2.047 0.00 0.00 +0.149 HD BRANCH 30 32 ATOM 32 C LIG 1 3.985 -0.679 -0.522 0.00 0.00 +0.109 C BRANCH 32 33 ATOM 33 C LIG 1 4.169 -1.373 0.830 0.00 0.00 +0.061 C BRANCH 33 34 ATOM 34 C LIG 1 5.169 -0.653 1.686 0.00 0.00 -0.009 A ATOM 35 S LIG 1 6.832 -1.058 1.604 0.00 0.00 -0.102 S ATOM 36 C LIG 1 7.239 0.117 2.777 0.00 0.00 +0.045 A ATOM 37 C LIG 1 6.135 0.804 3.226 0.00 0.00 +0.008 A ATOM 38 C LIG 1 4.937 0.359 2.596 0.00 0.00 +0.011 A ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 30 32 ENDBRANCH 1 29 TORSDOF 7