REMARK Name = BDB037262 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.333 -0.795 0.687 0.00 0.00 -0.219 N ATOM 2 H LIG 1 0.885 -1.045 1.550 0.00 0.00 +0.166 HD ATOM 3 C LIG 1 0.709 -0.097 -0.311 0.00 0.00 +0.274 C ATOM 4 O LIG 1 1.276 0.406 -1.274 0.00 0.00 -0.268 OA ENDROOT BRANCH 3 5 ATOM 5 C LIG 1 -0.776 -0.003 -0.174 0.00 0.00 +0.130 A ATOM 6 N LIG 1 -1.327 1.189 -0.510 0.00 0.00 -0.208 NA ATOM 7 C LIG 1 -2.667 1.299 -0.409 0.00 0.00 +0.220 A ATOM 8 C LIG 1 -3.500 0.264 0.006 0.00 0.00 +0.035 A ATOM 9 C LIG 1 -2.898 -0.955 0.347 0.00 0.00 +0.013 A ATOM 10 C LIG 1 -1.518 -1.097 0.257 0.00 0.00 +0.033 A BRANCH 7 11 ATOM 11 O LIG 1 -3.263 2.505 -0.723 0.00 0.00 -0.479 OA ATOM 12 C LIG 1 -2.345 3.477 -1.224 0.00 0.00 +0.279 C ENDBRANCH 7 11 BRANCH 8 13 ATOM 13 C LIG 1 -4.989 0.436 0.113 0.00 0.00 +0.184 C BRANCH 13 14 ATOM 14 N LIG 1 -5.395 0.658 1.494 0.00 0.00 -0.267 N ATOM 15 N LIG 1 -5.823 -0.382 2.244 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 -6.128 0.181 3.417 0.00 0.00 +0.134 A ATOM 17 C LIG 1 -5.898 1.570 3.422 0.00 0.00 +0.041 A ATOM 18 C LIG 1 -5.427 1.853 2.161 0.00 0.00 +0.108 A ENDBRANCH 13 14 ENDBRANCH 8 13 ENDBRANCH 3 5 BRANCH 1 19 ATOM 19 S LIG 1 2.999 -0.841 0.804 0.00 0.00 +0.159 S ATOM 20 O LIG 1 3.364 0.547 0.990 0.00 0.00 -0.223 OA ATOM 21 N LIG 1 3.162 -1.922 1.884 0.00 0.00 -0.232 NA ATOM 22 H LIG 1 4.154 -2.030 2.108 0.00 0.00 +0.199 HD BRANCH 19 24 ATOM 23 C LIG 1 5.070 -1.145 -0.965 0.00 0.00 +0.141 A ATOM 24 C LIG 1 3.747 -1.465 -0.654 0.00 0.00 +0.142 A ATOM 25 C LIG 1 3.022 -2.286 -1.510 0.00 0.00 +0.145 A ATOM 26 F LIG 1 1.768 -2.668 -1.223 0.00 0.00 -0.204 F ATOM 27 C LIG 1 3.597 -2.773 -2.683 0.00 0.00 +0.040 A ATOM 28 C LIG 1 4.916 -2.450 -2.999 0.00 0.00 +0.006 A ATOM 29 C LIG 1 5.658 -1.649 -2.131 0.00 0.00 +0.047 A BRANCH 23 31 ATOM 30 C LIG 1 6.146 0.867 -0.606 0.00 0.00 +0.277 C ATOM 31 O LIG 1 5.839 -0.430 -0.087 0.00 0.00 -0.494 OA ENDBRANCH 23 31 ENDBRANCH 19 24 ENDBRANCH 1 19 TORSDOF 7