REMARK Name = BDB037655 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.583 -2.010 -1.981 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -0.411 -1.398 -1.513 0.00 0.00 +0.135 A ATOM 3 C LIG 1 -0.375 -0.459 -0.500 0.00 0.00 +0.027 A ATOM 4 C LIG 1 0.985 -0.416 -0.101 0.00 0.00 +0.086 A ATOM 5 N LIG 1 1.745 -1.201 -0.887 0.00 0.00 -0.168 NA ATOM 6 C LIG 1 -1.637 0.135 0.041 0.00 0.00 +0.083 C ATOM 7 C LIG 1 -2.736 0.024 -1.041 0.00 0.00 +0.172 C ATOM 8 N LIG 1 0.911 -1.617 -1.879 0.00 0.00 -0.218 N ATOM 9 C LIG 1 -2.802 -1.432 -1.571 0.00 0.00 +0.242 C ATOM 10 O LIG 1 -3.884 -2.022 -1.673 0.00 0.00 -0.273 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -1.332 1.562 0.463 0.00 0.00 -0.037 A ATOM 12 C LIG 1 -1.450 1.917 1.821 0.00 0.00 +0.007 A ATOM 13 C LIG 1 -1.186 3.221 2.245 0.00 0.00 +0.038 A ATOM 14 C LIG 1 -0.810 4.181 1.315 0.00 0.00 +0.123 A ATOM 15 F LIG 1 -0.560 5.431 1.724 0.00 0.00 -0.205 F ATOM 16 C LIG 1 -0.694 3.862 -0.032 0.00 0.00 +0.038 A ATOM 17 C LIG 1 -0.956 2.558 -0.458 0.00 0.00 +0.007 A ENDBRANCH 6 11 BRANCH 8 18 ATOM 18 C LIG 1 1.464 -2.034 -3.123 0.00 0.00 +0.067 A ATOM 19 C LIG 1 0.715 -1.966 -4.307 0.00 0.00 +0.028 A ATOM 20 C LIG 1 1.291 -2.344 -5.522 0.00 0.00 +0.002 A ATOM 21 C LIG 1 2.616 -2.773 -5.568 0.00 0.00 +0.000 A ATOM 22 C LIG 1 3.375 -2.818 -4.399 0.00 0.00 +0.002 A ATOM 23 C LIG 1 2.806 -2.441 -3.181 0.00 0.00 +0.028 A ENDBRANCH 8 18 BRANCH 7 24 ATOM 24 N LIG 1 -4.058 0.402 -0.539 0.00 0.00 -0.297 N ATOM 25 H LIG 1 -4.666 -0.335 -0.184 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 -4.700 1.550 -0.976 0.00 0.00 +0.282 C ATOM 27 O LIG 1 -4.138 2.412 -1.645 0.00 0.00 -0.267 OA BRANCH 26 28 ATOM 28 C LIG 1 -6.158 1.643 -0.585 0.00 0.00 +0.216 A ATOM 29 N LIG 1 -6.852 2.722 -0.992 0.00 0.00 -0.219 NA ATOM 30 C LIG 1 -8.164 2.772 -0.647 0.00 0.00 +0.147 A ATOM 31 C LIG 1 -8.762 1.751 0.077 0.00 0.00 +0.052 A ATOM 32 C LIG 1 -7.959 0.693 0.443 0.00 0.00 +0.115 A ATOM 33 N LIG 1 -6.656 0.608 0.130 0.00 0.00 -0.232 NA BRANCH 30 34 ATOM 34 C LIG 1 -9.003 3.956 -1.106 0.00 0.00 +0.434 C ATOM 35 F LIG 1 -10.129 4.127 -0.350 0.00 0.00 -0.164 F ATOM 36 F LIG 1 -9.448 3.817 -2.386 0.00 0.00 -0.164 F ATOM 37 F LIG 1 -8.348 5.147 -1.054 0.00 0.00 -0.164 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 7 24 BRANCH 1 39 ATOM 38 C LIG 1 -1.726 -4.394 -1.305 0.00 0.00 +0.025 C ATOM 39 C LIG 1 -1.633 -3.398 -2.456 0.00 0.00 +0.112 C ENDBRANCH 1 39 BRANCH 4 40 ATOM 40 C LIG 1 1.606 0.325 1.049 0.00 0.00 +0.162 C BRANCH 40 41 ATOM 41 N LIG 1 2.905 -0.241 1.338 0.00 0.00 -0.306 N ATOM 42 H LIG 1 3.276 -0.862 0.627 0.00 0.00 +0.149 HD ATOM 43 C LIG 1 3.658 0.206 2.381 0.00 0.00 +0.237 C ATOM 44 O LIG 1 3.290 1.060 3.177 0.00 0.00 -0.271 OA BRANCH 43 45 ATOM 45 C LIG 1 4.987 -0.438 2.453 0.00 0.00 +0.072 C ATOM 46 C LIG 1 5.912 0.074 3.276 0.00 0.00 +0.072 C BRANCH 46 47 ATOM 47 C LIG 1 7.253 -0.554 3.336 0.00 0.00 +0.239 C ATOM 48 N LIG 1 8.033 -0.264 4.444 0.00 0.00 -0.304 N ATOM 49 C LIG 1 7.590 0.475 5.617 0.00 0.00 +0.132 C ATOM 50 C LIG 1 9.426 -0.681 4.441 0.00 0.00 +0.132 C ATOM 51 O LIG 1 7.627 -1.283 2.419 0.00 0.00 -0.271 OA ENDBRANCH 46 47 ENDBRANCH 43 45 ENDBRANCH 40 41 ENDBRANCH 4 40 TORSDOF 10