REMARK Name = BDB042051 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.143 -2.395 1.014 0.00 0.00 -0.321 N ATOM 2 C LIG 1 -0.910 -2.748 -0.198 0.00 0.00 +0.088 C ATOM 3 C LIG 1 -1.715 -1.496 -0.675 0.00 0.00 +0.107 C ATOM 4 N LIG 1 -2.689 -0.982 0.335 0.00 0.00 -0.288 NA ATOM 5 C LIG 1 -2.027 -0.926 1.675 0.00 0.00 +0.107 C ATOM 6 C LIG 1 -1.862 -3.833 0.341 0.00 0.00 +0.025 C ATOM 7 C LIG 1 -2.056 -3.474 1.821 0.00 0.00 +0.025 C ATOM 8 C LIG 1 -1.203 -2.208 2.027 0.00 0.00 +0.088 C ENDROOT BRANCH 1 15 ATOM 9 N LIG 1 4.942 0.295 -0.653 0.00 0.00 -0.282 N ATOM 10 C LIG 1 4.592 0.631 0.643 0.00 0.00 +0.248 C ATOM 11 O LIG 1 5.149 1.398 1.401 0.00 0.00 -0.270 OA ATOM 12 C LIG 1 3.353 -0.092 0.947 0.00 0.00 +0.042 A ATOM 13 C LIG 1 2.955 -0.772 -0.195 0.00 0.00 -0.016 A ATOM 14 C LIG 1 1.798 -1.539 -0.187 0.00 0.00 +0.029 A ATOM 15 C LIG 1 1.006 -1.622 0.977 0.00 0.00 +0.031 A ATOM 16 C LIG 1 1.474 -0.930 2.124 0.00 0.00 +0.024 A ATOM 17 C LIG 1 2.639 -0.152 2.120 0.00 0.00 +0.015 A ATOM 18 C LIG 1 3.922 -0.518 -1.300 0.00 0.00 +0.144 C BRANCH 9 25 ATOM 19 O LIG 1 8.239 4.051 0.168 0.00 0.00 -0.275 OA ATOM 20 C LIG 1 7.602 3.096 -0.273 0.00 0.00 +0.219 C ATOM 21 N LIG 1 6.569 3.297 -1.150 0.00 0.00 -0.255 N ATOM 22 H LIG 1 6.341 4.263 -1.334 0.00 0.00 +0.158 HD ATOM 23 C LIG 1 5.723 2.368 -1.700 0.00 0.00 +0.240 C ATOM 24 O LIG 1 4.740 2.724 -2.353 0.00 0.00 -0.273 OA ATOM 25 C LIG 1 6.026 0.896 -1.422 0.00 0.00 +0.163 C ATOM 26 C LIG 1 7.434 0.655 -0.881 0.00 0.00 +0.041 C ATOM 27 C LIG 1 7.900 1.677 0.140 0.00 0.00 +0.098 C ENDBRANCH 9 25 ENDBRANCH 1 15 BRANCH 4 28 ATOM 28 C LIG 1 -3.230 0.353 -0.059 0.00 0.00 +0.117 C BRANCH 28 29 ATOM 29 C LIG 1 -4.207 0.943 0.968 0.00 0.00 -0.026 A ATOM 30 C LIG 1 -4.074 2.284 1.368 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -4.959 2.844 2.291 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -5.993 2.077 2.822 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -6.145 0.748 2.432 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -5.261 0.186 1.510 0.00 0.00 +0.005 A ENDBRANCH 28 29 BRANCH 28 35 ATOM 35 C LIG 1 -3.876 0.363 -1.451 0.00 0.00 -0.026 A ATOM 36 C LIG 1 -3.554 1.383 -2.363 0.00 0.00 +0.005 A ATOM 37 C LIG 1 -4.140 1.419 -3.630 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -5.058 0.440 -4.003 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -5.394 -0.575 -3.110 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -4.810 -0.612 -1.843 0.00 0.00 +0.005 A ENDBRANCH 28 35 ENDBRANCH 4 28 TORSDOF 5