REMARK Name = BDB065387 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.004 -0.337 -0.010 0.00 0.00 -0.251 N ATOM 2 N LIG 1 0.801 0.339 1.131 0.00 0.00 -0.065 NA ATOM 3 N LIG 1 -0.457 0.759 1.121 0.00 0.00 -0.130 NA ATOM 4 C LIG 1 -1.049 0.332 -0.043 0.00 0.00 +0.113 A ATOM 5 C LIG 1 -0.123 -0.377 -0.777 0.00 0.00 +0.138 A ENDROOT BRANCH 4 6 ATOM 6 C LIG 1 -2.433 0.606 -0.392 0.00 0.00 +0.004 A ATOM 7 C LIG 1 -3.274 1.218 0.547 0.00 0.00 +0.010 A ATOM 8 C LIG 1 -4.610 1.495 0.243 0.00 0.00 +0.006 A ATOM 9 C LIG 1 -5.137 1.168 -1.013 0.00 0.00 -0.028 A ATOM 10 C LIG 1 -4.301 0.555 -1.954 0.00 0.00 +0.006 A ATOM 11 C LIG 1 -2.963 0.278 -1.647 0.00 0.00 +0.010 A BRANCH 9 12 ATOM 12 C LIG 1 -6.581 1.459 -1.333 0.00 0.00 +0.159 C BRANCH 12 13 ATOM 13 N LIG 1 -7.462 0.469 -0.748 0.00 0.00 -0.310 N ATOM 14 C LIG 1 -8.199 0.618 0.394 0.00 0.00 +0.166 A ATOM 15 C LIG 1 -8.899 -0.572 0.520 0.00 0.00 +0.147 A ATOM 16 C LIG 1 -9.745 -0.689 1.636 0.00 0.00 +0.147 A ATOM 17 N LIG 1 -9.839 0.357 2.489 0.00 0.00 -0.219 NA ATOM 18 C LIG 1 -9.092 1.455 2.241 0.00 0.00 +0.225 A ATOM 19 N LIG 1 -8.620 -1.422 -0.532 0.00 0.00 -0.231 NA ATOM 20 N LIG 1 -8.244 1.679 1.216 0.00 0.00 -0.216 NA ATOM 21 C LIG 1 -7.748 -0.765 -1.270 0.00 0.00 +0.202 A BRANCH 16 22 ATOM 22 N LIG 1 -10.510 -1.819 1.896 0.00 0.00 -0.341 N ATOM 23 H LIG 1 -10.659 -2.401 1.079 0.00 0.00 +0.144 HD ATOM 24 H LIG 1 -11.306 -1.615 2.485 0.00 0.00 +0.144 HD ENDBRANCH 16 22 ENDBRANCH 12 13 ENDBRANCH 9 12 ENDBRANCH 4 6 BRANCH 1 25 ATOM 25 C LIG 1 2.291 -0.931 -0.291 0.00 0.00 +0.145 C BRANCH 25 26 ATOM 26 C LIG 1 3.173 -0.073 -1.197 0.00 0.00 +0.024 C BRANCH 26 27 ATOM 27 C LIG 1 3.573 1.296 -0.627 0.00 0.00 +0.006 C BRANCH 27 28 ATOM 28 C LIG 1 4.342 1.260 0.701 0.00 0.00 +0.035 C BRANCH 28 32 ATOM 29 C LIG 1 8.080 -0.912 0.512 0.00 0.00 +0.059 A ATOM 30 C LIG 1 7.035 -1.367 1.326 0.00 0.00 +0.015 A ATOM 31 C LIG 1 5.830 -0.662 1.389 0.00 0.00 +0.004 A ATOM 32 C LIG 1 5.647 0.504 0.635 0.00 0.00 -0.047 A ATOM 33 C LIG 1 6.698 0.961 -0.172 0.00 0.00 +0.004 A ATOM 34 C LIG 1 7.906 0.258 -0.236 0.00 0.00 +0.015 A BRANCH 29 35 ATOM 35 C LIG 1 9.341 -1.702 0.481 0.00 0.00 +0.339 C ATOM 36 O LIG 1 9.503 -2.740 1.104 0.00 0.00 -0.245 OA BRANCH 35 38 ATOM 37 C LIG 1 11.501 -1.811 -0.399 0.00 0.00 +0.280 C ATOM 38 O LIG 1 10.259 -1.110 -0.324 0.00 0.00 -0.464 OA ENDBRANCH 35 38 ENDBRANCH 29 35 ENDBRANCH 28 32 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 1 25 TORSDOF 11