REMARK Name = BDB037686 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -2.515 1.921 -1.001 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -1.371 1.782 -0.195 0.00 0.00 +0.135 A ATOM 3 C LIG 1 -0.938 0.586 0.346 0.00 0.00 +0.027 A ATOM 4 C LIG 1 0.420 0.812 0.682 0.00 0.00 +0.086 A ATOM 5 N LIG 1 0.764 2.096 0.475 0.00 0.00 -0.168 NA ATOM 6 C LIG 1 -1.781 -0.645 0.305 0.00 0.00 +0.083 C ATOM 7 C LIG 1 -3.249 -0.248 0.051 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -0.399 2.720 0.141 0.00 0.00 -0.218 N ATOM 9 C LIG 1 -3.329 0.770 -1.116 0.00 0.00 +0.242 C ATOM 10 O LIG 1 -4.100 0.590 -2.063 0.00 0.00 -0.273 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -1.583 -1.371 1.628 0.00 0.00 -0.037 A ATOM 12 C LIG 1 -1.946 -0.798 2.862 0.00 0.00 +0.007 A ATOM 13 C LIG 1 -1.758 -1.497 4.056 0.00 0.00 +0.038 A ATOM 14 C LIG 1 -1.212 -2.773 4.025 0.00 0.00 +0.123 A ATOM 15 F LIG 1 -1.034 -3.444 5.171 0.00 0.00 -0.205 F ATOM 16 C LIG 1 -0.849 -3.365 2.823 0.00 0.00 +0.038 A ATOM 17 C LIG 1 -1.037 -2.670 1.627 0.00 0.00 +0.007 A ENDBRANCH 6 11 BRANCH 8 18 ATOM 18 C LIG 1 -0.494 4.131 0.275 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -1.728 4.750 0.501 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -1.800 6.139 0.633 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -0.642 6.911 0.556 0.00 0.00 +0.000 A ATOM 22 C LIG 1 0.594 6.297 0.367 0.00 0.00 +0.002 A ATOM 23 C LIG 1 0.673 4.909 0.240 0.00 0.00 +0.028 A ENDBRANCH 8 18 BRANCH 7 24 ATOM 24 N LIG 1 -4.079 -1.411 -0.271 0.00 0.00 -0.297 N ATOM 25 H LIG 1 -4.017 -1.796 -1.211 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 -5.300 -1.619 0.352 0.00 0.00 +0.282 C ATOM 27 O LIG 1 -5.638 -1.024 1.370 0.00 0.00 -0.267 OA BRANCH 26 28 ATOM 28 C LIG 1 -6.185 -2.638 -0.331 0.00 0.00 +0.216 A ATOM 29 N LIG 1 -7.372 -2.925 0.233 0.00 0.00 -0.219 NA ATOM 30 C LIG 1 -8.147 -3.833 -0.412 0.00 0.00 +0.147 A ATOM 31 C LIG 1 -7.731 -4.444 -1.587 0.00 0.00 +0.052 A ATOM 32 C LIG 1 -6.498 -4.076 -2.077 0.00 0.00 +0.115 A ATOM 33 N LIG 1 -5.700 -3.180 -1.473 0.00 0.00 -0.232 NA BRANCH 30 34 ATOM 34 C LIG 1 -9.498 -4.220 0.172 0.00 0.00 +0.434 C ATOM 35 F LIG 1 -9.928 -3.420 1.183 0.00 0.00 -0.164 F ATOM 36 F LIG 1 -10.489 -4.198 -0.768 0.00 0.00 -0.164 F ATOM 37 F LIG 1 -9.498 -5.491 0.668 0.00 0.00 -0.164 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 7 24 BRANCH 1 39 ATOM 38 C LIG 1 -3.933 3.674 -2.091 0.00 0.00 +0.025 C ATOM 39 C LIG 1 -2.615 2.908 -2.086 0.00 0.00 +0.112 C ENDBRANCH 1 39 BRANCH 4 40 ATOM 40 C LIG 1 1.447 -0.183 1.140 0.00 0.00 +0.162 C BRANCH 40 41 ATOM 41 N LIG 1 2.763 0.302 0.789 0.00 0.00 -0.306 N ATOM 42 H LIG 1 2.832 1.304 0.642 0.00 0.00 +0.149 HD ATOM 43 C LIG 1 3.843 -0.524 0.715 0.00 0.00 +0.237 C ATOM 44 O LIG 1 3.801 -1.733 0.904 0.00 0.00 -0.271 OA BRANCH 43 45 ATOM 45 C LIG 1 5.090 0.189 0.365 0.00 0.00 +0.072 C ATOM 46 C LIG 1 6.197 -0.520 0.098 0.00 0.00 +0.072 C BRANCH 46 47 ATOM 47 C LIG 1 7.443 0.198 -0.264 0.00 0.00 +0.240 C ATOM 48 N LIG 1 8.522 -0.577 -0.617 0.00 0.00 -0.298 N ATOM 49 C LIG 1 8.617 -2.030 -0.657 0.00 0.00 +0.108 C ATOM 50 C LIG 1 10.086 -2.310 -0.951 0.00 0.00 +0.020 C ATOM 51 C LIG 1 10.518 -1.085 -1.745 0.00 0.00 +0.020 C ATOM 52 C LIG 1 9.761 0.040 -1.057 0.00 0.00 +0.108 C ATOM 53 O LIG 1 7.481 1.426 -0.262 0.00 0.00 -0.271 OA ENDBRANCH 46 47 ENDBRANCH 43 45 ENDBRANCH 40 41 ENDBRANCH 4 40 TORSDOF 10