REMARK Name = BDB020441 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.104 -0.056 -0.626 0.00 0.00 +0.152 A ATOM 2 C LIG 1 0.806 -0.022 -0.106 0.00 0.00 +0.034 A ATOM 3 C LIG 1 -0.606 -0.059 -0.489 0.00 0.00 +0.150 C ATOM 4 N LIG 1 -1.262 -0.015 0.852 0.00 0.00 -0.272 N ATOM 5 C LIG 1 -0.310 0.099 2.005 0.00 0.00 +0.129 C ATOM 6 C LIG 1 -2.580 -0.329 1.092 0.00 0.00 +0.304 C ATOM 7 N LIG 1 -3.364 -0.378 -0.033 0.00 0.00 -0.291 N ATOM 8 H LIG 1 -3.104 0.288 -0.740 0.00 0.00 +0.151 HD ATOM 9 O LIG 1 -3.006 -0.561 2.219 0.00 0.00 -0.253 OA ATOM 10 C LIG 1 0.947 0.063 1.244 0.00 0.00 +0.063 A ATOM 11 N LIG 1 2.265 0.059 1.512 0.00 0.00 -0.278 N ATOM 12 H LIG 1 2.751 0.097 2.403 0.00 0.00 +0.189 HD ATOM 13 N LIG 1 2.998 0.005 0.375 0.00 0.00 -0.158 NA ENDROOT BRANCH 1 15 ATOM 14 C LIG 1 3.625 -0.111 -2.588 0.00 0.00 +0.249 C ATOM 15 N LIG 1 2.401 -0.114 -1.967 0.00 0.00 -0.265 N ATOM 16 H LIG 1 1.631 0.002 -2.608 0.00 0.00 +0.157 HD ATOM 17 O LIG 1 3.688 0.110 -3.799 0.00 0.00 -0.270 OA BRANCH 14 21 ATOM 18 C LIG 1 7.346 -0.981 -0.654 0.00 0.00 +0.034 A ATOM 19 C LIG 1 6.273 -1.878 -0.554 0.00 0.00 +0.024 A ATOM 20 C LIG 1 5.050 -1.604 -1.174 0.00 0.00 +0.015 A ATOM 21 C LIG 1 4.880 -0.404 -1.868 0.00 0.00 +0.037 A ATOM 22 C LIG 1 5.942 0.497 -1.972 0.00 0.00 +0.015 A ATOM 23 C LIG 1 7.165 0.216 -1.351 0.00 0.00 +0.024 A BRANCH 18 25 ATOM 24 C LIG 1 9.806 -0.855 -0.031 0.00 0.00 +0.241 C ATOM 25 N LIG 1 8.529 -1.335 0.020 0.00 0.00 -0.282 N ATOM 26 H LIG 1 8.436 -2.038 0.744 0.00 0.00 +0.155 HD ATOM 27 O LIG 1 10.596 -1.135 0.870 0.00 0.00 -0.271 OA BRANCH 24 29 ATOM 28 C LIG 1 11.302 0.733 -1.147 0.00 0.00 +0.013 C ATOM 29 C LIG 1 10.249 -0.091 -1.221 0.00 0.00 +0.060 C ENDBRANCH 24 29 ENDBRANCH 18 25 ENDBRANCH 14 21 ENDBRANCH 1 15 BRANCH 5 30 ATOM 30 C LIG 1 -0.541 1.378 2.841 0.00 0.00 +0.009 C ATOM 31 C LIG 1 0.362 1.411 4.077 0.00 0.00 +0.009 C ATOM 32 C LIG 1 -0.393 2.682 2.048 0.00 0.00 +0.009 C ENDBRANCH 5 30 BRANCH 7 33 ATOM 33 C LIG 1 -4.810 -0.610 0.076 0.00 0.00 +0.119 C BRANCH 33 34 ATOM 34 C LIG 1 -5.494 0.750 0.173 0.00 0.00 -0.026 A ATOM 35 C LIG 1 -5.863 1.240 1.437 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -6.465 2.492 1.572 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -6.696 3.279 0.447 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -6.318 2.818 -0.812 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -5.714 1.566 -0.949 0.00 0.00 +0.005 A ENDBRANCH 33 34 BRANCH 33 40 ATOM 40 C LIG 1 -5.285 -1.528 -1.098 0.00 0.00 +0.111 C BRANCH 40 41 ATOM 41 N LIG 1 -6.551 -2.274 -0.907 0.00 0.00 -0.306 NA ATOM 42 C LIG 1 -6.743 -3.224 -2.005 0.00 0.00 +0.104 C ATOM 43 C LIG 1 -7.718 -1.400 -0.799 0.00 0.00 +0.104 C ENDBRANCH 40 41 ENDBRANCH 33 40 ENDBRANCH 7 33 TORSDOF 9