REMARK Name = BDB004302 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.673 0.221 1.150 0.00 0.00 +0.003 C ATOM 2 C LIG 1 0.053 -0.590 -0.010 0.00 0.00 +0.005 C ATOM 3 C LIG 1 -1.222 0.060 -0.533 0.00 0.00 +0.010 C ATOM 4 C LIG 1 -2.297 0.083 0.564 0.00 0.00 +0.002 C ATOM 5 C LIG 1 -3.454 1.060 0.233 0.00 0.00 +0.113 C ATOM 6 N LIG 1 -4.362 0.028 0.646 0.00 0.00 -0.329 N ATOM 7 C LIG 1 -3.389 -1.012 0.445 0.00 0.00 +0.113 C ATOM 8 C LIG 1 -1.722 0.198 1.989 0.00 0.00 +0.010 C ATOM 9 C LIG 1 -0.409 0.971 1.963 0.00 0.00 +0.005 C ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -5.739 -0.057 0.355 0.00 0.00 +0.030 A ATOM 11 C LIG 1 -6.475 1.074 -0.015 0.00 0.00 +0.023 A ATOM 12 C LIG 1 -7.840 0.985 -0.316 0.00 0.00 +0.006 A ATOM 13 C LIG 1 -8.513 -0.242 -0.241 0.00 0.00 -0.039 A ATOM 14 C LIG 1 -7.780 -1.371 0.154 0.00 0.00 +0.006 A ATOM 15 C LIG 1 -6.416 -1.277 0.448 0.00 0.00 +0.023 A BRANCH 13 16 ATOM 16 C LIG 1 -10.003 -0.388 -0.555 0.00 0.00 +0.063 C ATOM 17 C LIG 1 -10.963 -0.050 0.616 0.00 0.00 +0.068 C ATOM 18 C LIG 1 -11.179 1.465 0.672 0.00 0.00 +0.238 C ATOM 19 O LIG 1 -11.798 1.964 -0.520 0.00 0.00 -0.491 OA ATOM 20 C LIG 1 -11.271 1.502 -1.695 0.00 0.00 +0.128 A ATOM 21 C LIG 1 -11.663 2.190 -2.844 0.00 0.00 +0.091 A ATOM 22 C LIG 1 -11.184 1.793 -4.087 0.00 0.00 +0.120 A ATOM 23 C LIG 1 -10.323 0.709 -4.205 0.00 0.00 +0.046 A ATOM 24 C LIG 1 -9.945 0.007 -3.059 0.00 0.00 +0.011 A ATOM 25 C LIG 1 -10.419 0.394 -1.792 0.00 0.00 +0.003 A BRANCH 17 26 ATOM 26 C LIG 1 -10.601 -0.700 1.941 0.00 0.00 -0.040 A ATOM 27 C LIG 1 -9.762 -0.078 2.879 0.00 0.00 +0.004 A ATOM 28 C LIG 1 -9.431 -0.719 4.075 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -9.931 -1.989 4.351 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -10.760 -2.623 3.429 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -11.089 -1.985 2.231 0.00 0.00 +0.004 A ENDBRANCH 17 26 BRANCH 22 32 ATOM 32 O LIG 1 -11.584 2.503 -5.181 0.00 0.00 -0.507 OA ATOM 33 H LIG 1 -11.140 2.140 -5.965 0.00 0.00 +0.292 HD ENDBRANCH 22 32 ENDBRANCH 13 16 ENDBRANCH 6 10 BRANCH 1 34 ATOM 34 C LIG 1 1.746 1.236 0.682 0.00 0.00 +0.088 C BRANCH 34 38 ATOM 35 N LIG 1 5.809 1.183 0.089 0.00 0.00 -0.323 N ATOM 36 C LIG 1 5.075 0.493 1.177 0.00 0.00 +0.120 C ATOM 37 C LIG 1 3.768 -0.189 0.703 0.00 0.00 +0.103 C ATOM 38 N LIG 1 2.844 0.647 -0.096 0.00 0.00 -0.299 NA ATOM 39 C LIG 1 3.579 1.702 -0.834 0.00 0.00 +0.103 C ATOM 40 C LIG 1 5.038 1.324 -1.167 0.00 0.00 +0.120 C BRANCH 35 42 ATOM 41 C LIG 1 7.479 -0.604 -0.493 0.00 0.00 +0.237 A ATOM 42 C LIG 1 7.115 0.711 -0.141 0.00 0.00 +0.092 A ATOM 43 C LIG 1 8.158 1.639 -0.038 0.00 0.00 +0.031 A ATOM 44 C LIG 1 9.476 1.251 -0.266 0.00 0.00 +0.035 A ATOM 45 C LIG 1 9.725 -0.077 -0.595 0.00 0.00 +0.129 A ATOM 46 N LIG 1 8.750 -1.009 -0.715 0.00 0.00 -0.207 NA BRANCH 45 47 ATOM 47 C LIG 1 11.121 -0.563 -0.860 0.00 0.00 +0.263 C ATOM 48 N LIG 1 12.143 0.092 -0.194 0.00 0.00 -0.299 N ATOM 49 H LIG 1 11.913 0.643 0.630 0.00 0.00 +0.150 HD ATOM 50 O LIG 1 11.337 -1.510 -1.613 0.00 0.00 -0.269 OA BRANCH 48 51 ATOM 51 C LIG 1 13.510 -0.408 -0.259 0.00 0.00 +0.160 C ATOM 52 C LIG 1 14.317 0.234 0.874 0.00 0.00 +0.240 C ATOM 53 O LIG 1 13.786 0.793 1.834 0.00 0.00 -0.273 OA ATOM 54 N LIG 1 15.683 0.144 0.768 0.00 0.00 -0.255 N ATOM 55 H LIG 1 16.206 0.582 1.515 0.00 0.00 +0.158 HD ATOM 56 C LIG 1 16.382 -0.024 -0.401 0.00 0.00 +0.219 C ATOM 57 O LIG 1 17.575 0.257 -0.468 0.00 0.00 -0.275 OA ATOM 58 C LIG 1 15.615 -0.594 -1.571 0.00 0.00 +0.098 C ATOM 59 C LIG 1 14.182 -0.084 -1.589 0.00 0.00 +0.041 C ENDBRANCH 48 51 ENDBRANCH 45 47 BRANCH 41 61 ATOM 60 C LIG 1 6.904 -2.786 -1.134 0.00 0.00 +0.279 C ATOM 61 O LIG 1 6.465 -1.537 -0.611 0.00 0.00 -0.478 OA ENDBRANCH 41 61 ENDBRANCH 35 42 ENDBRANCH 34 38 ENDBRANCH 1 34 TORSDOF 10