REMARK Name = BDB031239 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.893 2.079 -0.641 0.00 0.00 +0.147 A ATOM 2 N LIG 1 -0.435 1.959 -0.219 0.00 0.00 -0.292 N ATOM 3 C LIG 1 -0.886 3.244 0.065 0.00 0.00 +0.074 A ATOM 4 C LIG 1 0.196 4.068 -0.233 0.00 0.00 +0.090 A ATOM 5 C LIG 1 0.083 5.457 -0.071 0.00 0.00 +0.030 A ATOM 6 C LIG 1 -1.130 5.992 0.372 0.00 0.00 +0.002 A ATOM 7 C LIG 1 -2.216 5.160 0.636 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -2.121 3.773 0.479 0.00 0.00 +0.028 A ATOM 9 N LIG 1 1.266 3.344 -0.676 0.00 0.00 -0.227 NA ENDROOT BRANCH 2 10 ATOM 10 C LIG 1 -1.184 0.754 -0.083 0.00 0.00 +0.051 A ATOM 11 C LIG 1 -1.989 0.564 1.051 0.00 0.00 +0.054 A ATOM 12 C LIG 1 -2.654 -0.641 1.154 0.00 0.00 +0.071 A ATOM 13 N LIG 1 -3.490 -1.124 2.167 0.00 0.00 -0.295 N ATOM 14 C LIG 1 -3.927 -2.424 1.826 0.00 0.00 +0.330 A ATOM 15 N LIG 1 -3.328 -2.722 0.582 0.00 0.00 -0.295 N ATOM 16 C LIG 1 -3.498 -3.941 -0.154 0.00 0.00 +0.154 C ATOM 17 O LIG 1 -4.665 -3.145 2.477 0.00 0.00 -0.246 OA ATOM 18 C LIG 1 -3.858 -0.410 3.355 0.00 0.00 +0.154 C ATOM 19 C LIG 1 -2.552 -1.631 0.174 0.00 0.00 +0.070 A ATOM 20 C LIG 1 -1.782 -1.460 -0.955 0.00 0.00 +0.030 A ATOM 21 C LIG 1 -1.087 -0.251 -1.079 0.00 0.00 +0.028 A ENDBRANCH 2 10 BRANCH 1 29 ATOM 22 C LIG 1 2.925 -1.000 -0.112 0.00 0.00 +0.090 A ATOM 23 N LIG 1 3.489 -1.228 -1.313 0.00 0.00 -0.245 NA ATOM 24 C LIG 1 3.245 -0.367 -2.314 0.00 0.00 +0.072 A ATOM 25 C LIG 1 2.408 0.760 -2.172 0.00 0.00 +0.011 A ATOM 26 C LIG 1 2.208 1.606 -3.292 0.00 0.00 +0.011 A ATOM 27 C LIG 1 2.819 1.340 -4.516 0.00 0.00 +0.001 A ATOM 28 C LIG 1 3.637 0.227 -4.643 0.00 0.00 +0.002 A ATOM 29 C LIG 1 1.811 0.959 -0.903 0.00 0.00 +0.029 A ATOM 30 C LIG 1 3.841 -0.610 -3.544 0.00 0.00 +0.028 A ATOM 31 C LIG 1 2.100 0.077 0.143 0.00 0.00 +0.042 A BRANCH 22 34 ATOM 32 C LIG 1 0.944 -2.703 1.600 0.00 0.00 +0.150 C ATOM 33 N LIG 1 2.384 -2.701 1.680 0.00 0.00 -0.332 N ATOM 34 C LIG 1 3.266 -1.979 0.906 0.00 0.00 +0.087 A ATOM 35 C LIG 1 4.506 -2.448 1.298 0.00 0.00 +0.140 A ATOM 36 N LIG 1 4.402 -3.366 2.312 0.00 0.00 -0.243 NA ATOM 37 C LIG 1 3.113 -3.501 2.516 0.00 0.00 +0.199 A ENDBRANCH 22 34 ENDBRANCH 1 29 TORSDOF 3