REMARK Name = BDB037378 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.993 -1.734 2.022 0.00 0.00 -0.254 N ATOM 2 C LIG 1 0.141 -1.219 1.374 0.00 0.00 +0.135 A ATOM 3 C LIG 1 0.101 -0.234 0.409 0.00 0.00 +0.027 A ATOM 4 C LIG 1 1.379 -0.245 -0.192 0.00 0.00 +0.086 A ATOM 5 N LIG 1 2.178 -1.156 0.389 0.00 0.00 -0.168 NA ATOM 6 C LIG 1 -1.123 0.554 0.110 0.00 0.00 +0.083 C ATOM 7 C LIG 1 -2.123 0.408 1.278 0.00 0.00 +0.172 C ATOM 8 N LIG 1 1.480 -1.587 1.480 0.00 0.00 -0.218 N ATOM 9 C LIG 1 -2.205 -1.045 1.816 0.00 0.00 +0.242 C ATOM 10 O LIG 1 -3.304 -1.531 2.111 0.00 0.00 -0.273 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -1.620 0.098 -1.258 0.00 0.00 -0.037 A ATOM 12 C LIG 1 -1.997 -1.227 -1.542 0.00 0.00 +0.007 A ATOM 13 C LIG 1 -2.467 -1.579 -2.809 0.00 0.00 +0.038 A ATOM 14 C LIG 1 -2.568 -0.612 -3.800 0.00 0.00 +0.123 A ATOM 15 F LIG 1 -3.021 -0.955 -5.013 0.00 0.00 -0.205 F ATOM 16 C LIG 1 -2.209 0.704 -3.549 0.00 0.00 +0.038 A ATOM 17 C LIG 1 -1.741 1.059 -2.282 0.00 0.00 +0.007 A ENDBRANCH 6 11 BRANCH 8 18 ATOM 18 C LIG 1 2.198 -2.152 2.571 0.00 0.00 +0.067 A ATOM 19 C LIG 1 3.446 -2.749 2.337 0.00 0.00 +0.028 A ATOM 20 C LIG 1 4.183 -3.275 3.400 0.00 0.00 +0.002 A ATOM 21 C LIG 1 3.689 -3.193 4.701 0.00 0.00 +0.000 A ATOM 22 C LIG 1 2.463 -2.575 4.944 0.00 0.00 +0.002 A ATOM 23 C LIG 1 1.720 -2.045 3.885 0.00 0.00 +0.028 A ENDBRANCH 8 18 BRANCH 7 24 ATOM 24 N LIG 1 -3.474 0.874 0.957 0.00 0.00 -0.299 N ATOM 25 H LIG 1 -4.229 0.219 1.136 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 -3.736 2.192 0.680 0.00 0.00 +0.245 C ATOM 27 O LIG 1 -2.874 3.063 0.696 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 -5.149 2.529 0.365 0.00 0.00 +0.037 A ATOM 29 C LIG 1 -5.992 1.618 -0.288 0.00 0.00 +0.025 A ATOM 30 C LIG 1 -7.317 1.972 -0.595 0.00 0.00 +0.056 A ATOM 31 C LIG 1 -7.781 3.248 -0.237 0.00 0.00 +0.012 A ATOM 32 C LIG 1 -6.938 4.160 0.400 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -5.622 3.804 0.695 0.00 0.00 +0.013 A BRANCH 30 34 ATOM 34 C LIG 1 -8.232 1.015 -1.322 0.00 0.00 +0.417 C ATOM 35 F LIG 1 -8.637 1.499 -2.528 0.00 0.00 -0.166 F ATOM 36 F LIG 1 -7.660 -0.195 -1.577 0.00 0.00 -0.166 F ATOM 37 F LIG 1 -9.370 0.749 -0.622 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 7 24 BRANCH 1 39 ATOM 38 C LIG 1 -1.442 -4.096 1.391 0.00 0.00 +0.025 C ATOM 39 C LIG 1 -1.095 -3.116 2.506 0.00 0.00 +0.112 C ENDBRANCH 1 39 BRANCH 4 40 ATOM 40 C LIG 1 1.854 0.567 -1.359 0.00 0.00 +0.162 C BRANCH 40 41 ATOM 41 N LIG 1 3.297 0.616 -1.344 0.00 0.00 -0.306 N ATOM 42 H LIG 1 3.742 -0.097 -0.778 0.00 0.00 +0.149 HD ATOM 43 C LIG 1 3.985 1.350 -2.265 0.00 0.00 +0.241 C ATOM 44 O LIG 1 3.441 2.085 -3.083 0.00 0.00 -0.271 OA BRANCH 43 45 ATOM 45 C LIG 1 5.448 1.193 -2.218 0.00 0.00 +0.026 C ATOM 46 C LIG 1 6.223 0.568 -1.115 0.00 0.00 +0.124 C ATOM 47 N LIG 1 7.655 0.825 -1.425 0.00 0.00 -0.297 NA ATOM 48 C LIG 1 8.190 1.864 -0.539 0.00 0.00 +0.105 C ATOM 49 C LIG 1 7.679 1.295 -2.834 0.00 0.00 +0.112 C ATOM 50 C LIG 1 6.270 1.611 -3.185 0.00 0.00 -0.002 C ENDBRANCH 43 45 ENDBRANCH 40 41 ENDBRANCH 4 40 TORSDOF 9