REMARK Name = LIG001400 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.448 0.501 -0.662 0.00 0.00 -0.298 NA ATOM 2 C LIG 1 1.965 -0.718 -0.004 0.00 0.00 +0.086 C ATOM 3 C LIG 1 0.823 -1.425 -0.739 0.00 0.00 +0.030 C ATOM 4 C LIG 1 -0.327 -0.490 -1.148 0.00 0.00 +0.036 C ATOM 5 C LIG 1 -1.371 -0.218 -0.100 0.00 0.00 +0.004 A ATOM 6 C LIG 1 -1.245 0.157 1.241 0.00 0.00 +0.008 A ATOM 7 C LIG 1 -2.399 0.408 1.993 0.00 0.00 +0.014 A ATOM 8 C LIG 1 -3.631 0.287 1.362 0.00 0.00 +0.045 A ATOM 9 C LIG 1 -4.976 0.497 1.907 0.00 0.00 +0.248 C ATOM 10 O LIG 1 -5.227 0.777 3.063 0.00 0.00 -0.270 OA ATOM 11 N LIG 1 -5.867 0.315 0.858 0.00 0.00 -0.281 N ATOM 12 C LIG 1 -5.199 -0.145 -0.356 0.00 0.00 +0.148 C ATOM 13 C LIG 1 -3.767 -0.081 0.028 0.00 0.00 +0.024 A ATOM 14 C LIG 1 -2.631 -0.340 -0.688 0.00 0.00 +0.130 A ATOM 15 O LIG 1 -2.603 -0.710 -2.002 0.00 0.00 -0.490 OA ATOM 16 C LIG 1 -1.256 -1.211 -2.160 0.00 0.00 +0.240 C ATOM 17 C LIG 1 0.210 0.822 -1.754 0.00 0.00 +0.030 C ATOM 18 C LIG 1 1.341 1.429 -0.922 0.00 0.00 +0.086 C ENDROOT BRANCH 11 19 ATOM 19 C LIG 1 -7.303 0.194 1.078 0.00 0.00 +0.163 C ATOM 20 C LIG 1 -7.748 -1.272 1.221 0.00 0.00 +0.240 C ATOM 21 O LIG 1 -6.982 -2.221 1.373 0.00 0.00 -0.273 OA ATOM 22 N LIG 1 -9.107 -1.481 1.164 0.00 0.00 -0.255 N ATOM 23 H LIG 1 -9.391 -2.449 1.243 0.00 0.00 +0.158 HD ATOM 24 C LIG 1 -10.022 -0.664 0.549 0.00 0.00 +0.219 C ATOM 25 O LIG 1 -11.129 -1.083 0.226 0.00 0.00 -0.275 OA ATOM 26 C LIG 1 -9.599 0.768 0.316 0.00 0.00 +0.098 C ATOM 27 C LIG 1 -8.120 0.855 -0.028 0.00 0.00 +0.041 C ENDBRANCH 11 19 BRANCH 1 28 ATOM 28 C LIG 1 3.254 0.243 -1.867 0.00 0.00 +0.119 C BRANCH 28 31 ATOM 29 C LIG 1 6.720 -0.449 -0.380 0.00 0.00 -0.015 A ATOM 30 C LIG 1 5.481 0.148 -0.656 0.00 0.00 +0.013 A ATOM 31 C LIG 1 4.581 -0.426 -1.572 0.00 0.00 -0.033 A ATOM 32 C LIG 1 4.941 -1.612 -2.223 0.00 0.00 +0.005 A ATOM 33 C LIG 1 6.169 -2.216 -1.957 0.00 0.00 +0.001 A ATOM 34 C LIG 1 7.051 -1.639 -1.040 0.00 0.00 +0.008 A BRANCH 29 39 ATOM 35 C LIG 1 9.166 2.808 2.466 0.00 0.00 +0.172 C ATOM 36 N LIG 1 8.718 1.597 1.823 0.00 0.00 -0.274 N ATOM 37 N LIG 1 9.319 0.431 2.117 0.00 0.00 -0.179 NA ATOM 38 C LIG 1 8.665 -0.454 1.360 0.00 0.00 +0.142 A ATOM 39 C LIG 1 7.645 0.138 0.577 0.00 0.00 +0.020 A ATOM 40 C LIG 1 7.715 1.476 0.906 0.00 0.00 +0.116 A ENDBRANCH 29 39 ENDBRANCH 28 31 ENDBRANCH 1 28 TORSDOF 4