REMARK Name = BDB031892 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.007 -1.343 -2.183 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -2.338 -0.362 -2.939 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -1.024 -0.028 -2.591 0.00 0.00 +0.068 A ATOM 4 C LIG 1 -0.335 -0.630 -1.547 0.00 0.00 +0.041 A ATOM 5 C LIG 1 0.943 0.015 -1.518 0.00 0.00 +0.154 A ATOM 6 N LIG 1 1.037 0.922 -2.494 0.00 0.00 -0.157 NA ATOM 7 C LIG 1 -0.984 -1.639 -0.811 0.00 0.00 +0.014 A ATOM 8 N LIG 1 -0.146 0.879 -3.114 0.00 0.00 -0.275 N ATOM 9 H LIG 1 -0.294 1.504 -3.897 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -2.303 -1.980 -1.146 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -4.641 0.635 1.656 0.00 0.00 +0.120 A ATOM 12 C LIG 1 -4.572 0.259 0.309 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -5.386 -0.771 -0.146 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -5.556 -1.432 -1.486 0.00 0.00 +0.081 C ATOM 15 C LIG 1 -4.442 -1.718 -2.476 0.00 0.00 +0.040 C ATOM 16 C LIG 1 -6.638 -2.461 -1.253 0.00 0.00 +0.228 C ATOM 17 N LIG 1 -7.000 -2.375 0.080 0.00 0.00 -0.284 N ATOM 18 H LIG 1 -7.712 -2.959 0.490 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 -7.088 -3.216 -2.098 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 -5.482 -0.654 -2.768 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -6.275 -1.386 0.748 0.00 0.00 +0.038 A ATOM 22 C LIG 1 -6.384 -1.028 2.074 0.00 0.00 +0.027 A ATOM 23 C LIG 1 -5.550 -0.003 2.523 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 -2.821 2.155 1.470 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -3.883 1.611 2.247 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 1.890 -0.327 -0.616 0.00 0.00 -0.280 N ATOM 27 H LIG 1 1.690 -1.057 0.056 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 3.047 0.378 -0.203 0.00 0.00 +0.166 A ATOM 29 C LIG 1 3.982 -0.316 0.594 0.00 0.00 +0.161 A ATOM 30 C LIG 1 5.150 0.341 0.989 0.00 0.00 +0.062 A ATOM 31 C LIG 1 5.377 1.660 0.589 0.00 0.00 +0.033 A ATOM 32 C LIG 1 4.404 2.262 -0.191 0.00 0.00 +0.124 A ATOM 33 N LIG 1 3.264 1.656 -0.584 0.00 0.00 -0.236 NA BRANCH 31 34 ATOM 34 P LIG 1 6.820 2.560 1.033 0.00 0.00 +0.112 P ATOM 35 O LIG 1 6.872 3.993 0.567 0.00 0.00 -0.317 OA ATOM 36 C LIG 1 7.026 2.498 2.818 0.00 0.00 +0.086 C ATOM 37 C LIG 1 8.264 1.673 0.432 0.00 0.00 +0.086 C ENDBRANCH 31 34 BRANCH 29 38 ATOM 38 O LIG 1 3.644 -1.601 0.947 0.00 0.00 -0.492 OA ATOM 39 C LIG 1 4.657 -2.393 1.555 0.00 0.00 +0.277 C ENDBRANCH 29 38 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 6